data_1y76_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 1y76 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.805 0.336 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.07 -51.98 40.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.9 ttpp -59.66 -42.43 92.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.592 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.3 tpt -61.08 -42.7 98.99 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 30.9 tp60 -68.45 -34.61 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.452 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 t -60.15 -56.1 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.668 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 15.9 mt -56.35 -42.2 77.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.991 0.424 . . . . 0.0 110.083 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -28.39 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.685 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.439 HG12 ' HB3' ' D' ' 108' ' ' ASP . 2.1 t -73.58 -38.15 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.975 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mt -63.81 -42.63 97.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.743 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.75 -39.68 84.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.396 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -54.22 28.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.767 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.451 ' CD2' HG13 ' D' ' 109' ' ' ILE . 50.2 mt -53.37 -57.18 11.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.438 . . . . 0.0 110.597 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -35.53 53.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.94 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -45.47 96.5 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.944 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -62.47 -41.73 98.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.311 . . . . 0.0 110.84 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 23.8 mt -58.75 -50.59 73.37 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.038 0.447 . . . . 0.0 110.737 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -28.4 68.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.117 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.42 -31.37 29.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.784 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.82 -30.94 26.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.261 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.26 22.48 3.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.627 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -114.76 77.69 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.021 0.438 . . . . 0.0 110.31 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.25 36.17 1.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.814 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.7 m -105.25 -51.21 3.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.158 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -69.99 -17.13 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.8 -42.95 27.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.468 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 2.1 pt-20 -56.82 -32.6 65.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.905 0.383 . . . . 0.0 110.658 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HA ' ' CD2' ' D' ' 84' ' ' LEU . 38.7 mmtm -74.36 -41.47 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.453 . . . . 0.0 110.307 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' A' ' 39' ' ' TYR . 2.1 mt -70.63 -29.9 66.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.331 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.44 -35.84 53.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.124 0.487 . . . . 0.0 110.382 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' CB ' HD23 ' D' ' 84' ' ' LEU . . . -80.3 -42.74 22.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.977 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.431 ' CD2' HD12 ' A' ' 42' ' ' LEU . 36.8 t80 -63.09 -50.52 70.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.377 0.608 . . . . 0.0 109.792 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.465 ' CE1' ' HD3' ' A' ' 43' ' ' LYS . 7.7 t80 -59.51 -53.75 54.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.074 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' A' ' 43' ' ' LYS . 21.8 mm-40 -59.14 -52.23 66.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.99 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.415 HG21 ' CE1' ' D' ' 128' ' ' HIS . 95.0 m -56.01 -34.85 66.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.835 0.35 . . . . 0.0 110.342 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -63.4 -35.97 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.21 0.529 . . . . 0.0 109.994 178.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 1.4 mtmt -72.39 -31.06 65.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.1 t -47.52 126.24 10.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.393 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.58 -29.95 78.74 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.417 2.078 . . . . 0.0 111.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -70.02 -55.15 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.324 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.467 ' CE1' ' HA ' ' D' ' 125' ' ' PHE . 9.7 t80 -58.5 -34.98 71.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.15 0.5 . . . . 0.0 110.006 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -50.69 68.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.167 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 46' ' ' LEU . 8.0 pt20 -57.26 -33.81 67.98 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.502 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 46' ' ' LEU . 1.4 mt -62.2 -52.23 62.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.781 0.324 . . . . 0.0 110.304 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -62.87 -32.98 74.34 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.222 179.389 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.8 m -53.99 -54.48 38.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.269 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.421 ' CD2' HG12 ' C' ' 50' ' ' ILE . 0.3 OUTLIER -59.24 -46.03 89.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.222 179.112 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -34.45 71.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.216 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.43 -38.01 88.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.202 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.9 t -61.1 -45.8 93.23 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.088 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.425 HD11 HG21 ' A' ' 57' ' ' ILE . 29.8 mt -59.49 -40.19 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.108 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HA ' ' CG ' ' A' ' 61' ' ' LYS . 5.2 mmtt -61.32 -33.89 74.35 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.903 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -64.09 -39.25 93.65 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.44 -61.5 2.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.116 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -56.04 -24.24 38.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.215 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.859 -179.77 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.853 0.358 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.475 ' CD1' HG23 ' B' ' 133' ' ' VAL . 0.2 OUTLIER -90.2 -159.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.619 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.433 HD22 ' CA ' ' C' ' 38' ' ' PHE . 12.1 tp -154.99 -37.34 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.74 107.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.556 ' O ' ' HB2' ' B' ' 90' ' ' PHE . 1.0 OUTLIER -53.11 -25.66 10.1 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.728 -179.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.88 -49.66 73.97 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.914 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -34.14 61.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.592 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.521 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -71.25 -28.97 64.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.465 179.439 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.556 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.1 t80 -71.83 -49.75 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 9.4 p -63.08 -26.92 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.521 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' SER . . . . . 0.404 ' C ' HD11 ' B' ' 96' ' ' ILE . 12.1 t -65.24 -52.65 53.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.575 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.489 ' HA ' HD11 ' B' ' 96' ' ' ILE . 0.8 OUTLIER -58.33 -38.96 78.19 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.981 0.419 . . . . 0.0 110.155 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -59.5 -40.21 86.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.795 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.421 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.4 t60 -69.49 -52.65 24.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.489 HD11 ' HA ' ' B' ' 93' ' ' LEU . 12.6 mt -50.8 -42.03 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.97 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.439 ' HG3' HG22 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -60.35 -50.94 71.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -80.35 -4.78 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -97.38 -32.18 12.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.405 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 63.5 mt -91.07 -53.73 4.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.14 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.0 38.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.695 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.65 22.29 11.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.69 -72.52 0.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.693 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -30.17 67.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.127 0.489 . . . . 0.0 109.855 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.443 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 1.9 m -70.08 -42.48 72.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.551 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -34.69 76.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.959 0.409 . . . . 0.0 110.426 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.0 -41.44 74.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.701 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.411 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 25.9 m-20 -70.53 -43.23 70.0 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.451 HG13 ' CD2' ' C' ' 19' ' ' LEU . 4.5 mt -59.74 -49.04 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.392 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 8.3 t -55.78 -36.31 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.966 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -51.5 68.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.958 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.412 ' CD2' HG11 ' C' ' 15' ' ' VAL . 2.1 mt -62.67 -41.86 99.31 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 5.7 mt -57.4 -40.69 78.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.607 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -52.29 64.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.543 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.481 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.1 mp -60.07 -49.66 76.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.225 0.535 . . . . 0.0 110.077 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.454 ' CG1' HG12 ' B' ' 86' ' ' ILE . 96.0 t -55.11 -37.76 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.891 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 57.2 mt-30 -87.59 -11.9 47.24 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.11 127.68 33.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.722 0.296 . . . . 0.0 110.488 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -58.71 5.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.563 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.59 -48.85 80.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.8 t80 -55.69 -54.57 42.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.615 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -51.75 -36.08 45.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.77 -49.73 75.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' B' ' 127' ' ' ILE . . . -56.99 -49.28 76.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.188 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.452 ' CD1' HD12 ' B' ' 86' ' ' ILE . 10.0 t80 -63.91 -39.04 93.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.272 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -39.38 90.43 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 110.401 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' B' ' 124' ' ' ALA . 6.5 mt -62.83 -49.64 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.563 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.602 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.2 t-80 -60.9 -44.54 96.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.189 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.41 ' O ' HG23 ' B' ' 133' ' ' VAL . 21.8 t-20 -55.33 -60.98 2.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.02 69.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . 0.424 ' CG2' ' CG2' ' A' ' 57' ' ' ILE . 55.1 mt -56.7 -43.06 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.398 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.602 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -57.67 -45.35 85.7 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.409 0.623 . . . . 0.0 109.57 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' B' ' 83' ' ' ILE . 90.6 t -54.88 -46.95 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.384 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -63.73 -31.63 72.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.202 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 27.0 ttm -57.75 -55.02 40.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.737 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.843 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.853 0.359 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.24 -54.62 19.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.744 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.456 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 9.4 ttpt -55.97 -42.65 76.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -46.46 90.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.409 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 26.4 tp60 -64.78 -34.34 78.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.48 -50.03 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.846 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' C' ' 9' ' ' LYS . 13.8 mt -58.2 -44.93 88.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.402 . . . . 0.0 110.057 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -28.5 68.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.474 178.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' B' ' 112' ' ' LEU . 7.1 t -72.26 -37.98 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.823 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -64.31 -40.92 96.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.838 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -71.07 -37.62 72.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.826 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -67.44 -54.53 19.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.451 ' CD2' HG13 ' B' ' 109' ' ' ILE . 96.0 mt -54.59 -53.25 57.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.617 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . 0.432 ' HG2' ' HA ' ' C' ' 32' ' ' ASN . 0.2 OUTLIER -55.02 -37.16 66.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.75 -44.4 97.01 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.906 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -63.64 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.626 0.25 . . . . 0.0 110.873 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 34.7 mt -61.64 -50.58 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 110.552 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -27.06 68.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.072 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.69 -32.48 28.06 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.54 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.02 -32.73 39.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.232 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.59 18.91 3.9 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.595 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -113.63 85.86 2.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.959 0.409 . . . . 0.0 110.201 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.06 27.55 3.15 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.921 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -101.32 -54.99 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.465 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.421 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 2.9 mp0 -70.5 -22.31 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.607 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . 0.432 ' HA ' ' HG2' ' C' ' 20' ' ' ARG . 35.1 p-10 -51.69 -42.6 62.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.652 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.91 -32.63 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.946 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -69.35 -43.12 74.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.22 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' C' ' 35' ' ' LEU . 1.0 OUTLIER -64.55 -32.53 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.519 179.616 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -39.39 49.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.941 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.08 -38.87 79.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.312 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.445 ' CD1' HD21 ' B' ' 89' ' ' LEU . 2.8 t80 -74.8 -35.18 62.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.246 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.459 ' CE1' ' CD ' ' C' ' 43' ' ' LYS . 2.5 t80 -68.94 -51.36 40.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.846 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -52.08 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' THR . . . . . 0.42 ' CG2' ' CE2' ' C' ' 47' ' ' PHE . 94.3 m -55.9 -39.06 71.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.876 0.37 . . . . 0.0 110.431 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.446 ' HB3' HD22 ' C' ' 13' ' ' LEU . 0.3 OUTLIER -62.44 -34.93 77.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.164 179.305 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.459 ' CD ' ' CE1' ' C' ' 39' ' ' TYR . 23.9 mtpt -80.08 -28.31 39.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.888 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.14 136.41 1.67 Allowed Pre-proline 0 N--CA 1.465 0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.471 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.67 -61.33 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.602 2.202 . . . . 0.0 112.67 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' C' ' 47' ' ' PHE . 0.4 OUTLIER -57.46 -34.24 68.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.466 ' N ' ' HG ' ' C' ' 46' ' ' LEU . 28.5 t80 -62.56 -46.66 87.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.092 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -56.54 -37.5 70.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.885 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -61.82 -41.0 97.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.171 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . 0.421 HG12 ' CD2' ' A' ' 53' ' ' LEU . 2.1 mt -60.51 -42.66 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.508 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.427 HD22 ' CE1' ' C' ' 47' ' ' PHE . 0.6 OUTLIER -66.45 -42.81 87.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.371 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 13.0 m -55.73 -39.66 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.202 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.82 -50.98 68.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.03 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -34.56 73.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.113 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.86 -40.57 93.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.219 0.533 . . . . 0.0 109.921 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 11.9 t -61.4 -42.04 98.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.405 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.408 ' CD1' ' CD1' ' A' ' 46' ' ' LEU . 3.1 mt -61.45 -36.13 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.059 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -40.94 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.726 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.12 -37.32 87.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.181 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.31 -48.14 79.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.703 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.01 -179.865 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.492 ' CD1' ' CG2' ' D' ' 133' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.174 0.035 . . . . 0.0 111.055 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.591 ' CD1' ' CB ' ' D' ' 89' ' ' LEU . 2.7 tm? -153.59 -40.98 0.09 Allowed 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.54 104.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.664 0.269 . . . . 0.0 110.711 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.707 ' HA ' ' CD2' ' D' ' 89' ' ' LEU . 1.2 mp -64.44 -31.15 52.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -41.19 98.43 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.977 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -38.64 47.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.11 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.707 ' CD2' ' HA ' ' D' ' 86' ' ' ILE . 0.0 OUTLIER -72.13 -28.54 63.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.819 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' D' ' 86' ' ' ILE . 1.1 t80 -72.5 -47.74 46.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 85.3 p -63.79 -29.13 70.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.559 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 8.1 m -64.38 -53.43 48.64 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.795 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' D' ' 96' ' ' ILE . 0.8 OUTLIER -57.89 -35.18 70.66 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.4 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -59.17 -41.32 88.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.483 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -69.06 -55.95 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' D' ' 93' ' ' LEU . 5.2 mt -51.41 -33.83 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.089 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' D' ' 93' ' ' LEU . 0.7 OUTLIER -64.13 -49.55 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.977 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -77.46 -22.24 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.053 0.454 . . . . 0.0 110.422 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.14 -33.52 26.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.071 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.418 ' HB3' ' CB ' ' D' ' 105' ' ' SER . 86.1 mt -101.06 86.79 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.27 36.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.23 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.35 12.37 22.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.893 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 4.7 m 69.28 -67.6 0.21 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.855 0.359 . . . . 0.0 111.17 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -36.92 70.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.043 0.449 . . . . 0.0 110.461 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.418 ' CB ' ' HB3' ' D' ' 100' ' ' LEU . 13.2 p -66.07 -38.23 87.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.587 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . 0.444 ' HA ' HD11 ' D' ' 109' ' ' ILE . 2.1 mt-30 -61.79 -38.37 87.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.012 0.434 . . . . 0.0 110.192 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.61 -41.29 88.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.817 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . 0.439 ' HB3' HG12 ' A' ' 15' ' ' VAL . 51.9 m-20 -70.03 -42.48 72.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.665 0.745 . . . . 0.0 109.142 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.451 HG13 ' CD2' ' A' ' 19' ' ' LEU . 3.8 mt -58.91 -49.5 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.461 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.96 -34.28 67.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.905 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -51.41 69.16 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.001 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . 0.431 ' CD2' HG13 ' A' ' 15' ' ' VAL . 1.2 mt -64.34 -41.12 96.93 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' D' ' 117' ' ' GLN . 6.0 mt -56.97 -42.27 79.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.669 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -63.68 -50.37 69.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.62 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.444 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 3.1 mp -59.59 -47.88 83.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.434 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.442 ' CG1' HG22 ' D' ' 86' ' ' ILE . 60.2 t -59.35 -39.92 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.713 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 57.6 mt-30 -83.52 -11.45 57.41 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.89 127.9 34.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.783 0.325 . . . . 0.0 110.566 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -58.42 6.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.441 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -49.99 75.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.998 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.3 t80 -55.84 -50.37 70.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -38.68 64.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.531 ' O ' HG13 ' D' ' 127' ' ' ILE . 34.6 m-20 -64.39 -52.24 59.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 111.136 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.07 -48.99 77.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.223 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.467 ' HA ' ' CE1' ' A' ' 47' ' ' PHE . 1.7 t80 -55.33 -40.29 71.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -62.16 -36.3 81.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.162 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.531 HG13 ' O ' ' D' ' 123' ' ' ASN . 9.7 mt -60.92 -49.57 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.578 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.615 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.7 t-80 -65.75 -29.02 69.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.095 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -65.6 -61.27 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.89 -52.17 52.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.478 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . 0.451 HD12 HG21 ' D' ' 131' ' ' ILE . 48.8 mt -53.74 -35.8 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 110.449 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.615 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -61.73 -48.74 79.34 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.607 0.718 . . . . 0.0 109.328 178.158 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.492 ' CG2' ' CD1' ' D' ' 83' ' ' ILE . 15.5 t -53.12 -51.16 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.966 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.49 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.068 0.461 . . . . 0.0 110.104 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 20.6 ttm . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.948 179.85 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.906 0.384 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.08 -55.37 26.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 12.3 ttpp -58.52 -44.82 89.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.626 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -43.0 99.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.897 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -69.79 -30.71 68.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.75 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.9 t -63.46 -56.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.502 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.419 HD23 ' HB3' ' A' ' 42' ' ' LEU . 17.1 mt -57.17 -42.74 81.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.156 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -28.18 67.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.561 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' D' ' 108' ' ' ASP . 2.4 t -74.44 -40.51 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.943 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 mt -62.38 -38.9 91.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.822 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.59 -40.29 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -54.7 24.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.461 ' CD1' HG13 ' D' ' 109' ' ' ILE . 94.2 mt -55.18 -54.93 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.139 0.495 . . . . 0.0 110.319 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.442 ' HD3' ' HB3' ' A' ' 32' ' ' ASN . 3.5 tmm_? -51.12 -37.26 44.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.145 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.94 -47.56 87.78 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.085 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -59.46 -31.87 69.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.849 0.357 . . . . 0.0 110.555 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' A' ' 28' ' ' ASP . 33.5 mt -66.57 -50.52 62.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.577 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -27.03 64.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.948 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -82.35 -30.48 30.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.343 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.1 -39.62 25.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.475 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.67 -16.34 6.21 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.091 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 8.4 m-20 -97.91 74.14 2.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.9 t -90.23 12.16 18.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.5 m -70.52 -33.68 71.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.5 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 14.7 mm-40 -75.69 -11.53 60.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.494 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.442 ' HB3' ' HD3' ' A' ' 20' ' ' ARG . 7.4 m-20 -57.91 -39.46 78.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.431 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -56.91 -35.77 69.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.866 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.655 ' HG3' HD13 ' D' ' 84' ' ' LEU . 0.0 OUTLIER -66.23 -55.81 14.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.758 0.79 . . . . 0.0 109.707 179.041 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.431 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.9 mt -58.59 -29.97 66.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.288 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.5 p -76.95 -34.18 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.05 0.452 . . . . 0.0 110.397 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' D' ' 84' ' ' LEU . . . -76.12 -42.49 46.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.951 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.456 ' CE1' ' CD1' ' A' ' 42' ' ' LEU . 3.0 t80 -71.53 -45.92 61.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.103 0.478 . . . . 0.0 110.402 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.502 ' CZ ' ' CE ' ' A' ' 43' ' ' LYS . 37.9 t80 -58.29 -53.9 53.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.086 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.51 -48.76 76.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.602 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.5 m -52.95 -34.54 56.14 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' CD1' ' CE1' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -69.35 -32.2 71.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.66 178.532 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' CE ' ' CZ ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -67.41 -31.38 71.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.692 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -49.57 133.16 19.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.475 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.81 -37.55 5.02 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.472 2.115 . . . . 0.0 111.982 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.433 ' CD1' ' CG1' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -66.68 -49.58 65.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.993 179.486 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.428 ' CZ ' HD22 ' A' ' 51' ' ' LEU . 27.3 t80 -59.45 -44.05 93.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.258 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -56.78 -38.99 73.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.231 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -60.77 -42.96 98.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.054 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.403 HG12 ' CD2' ' C' ' 53' ' ' LEU . 3.2 mt -57.93 -51.99 63.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.569 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.428 HD22 ' CZ ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -57.38 -40.23 77.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.368 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.9 m -53.45 -46.61 69.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.829 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' CD2' HG12 ' C' ' 50' ' ' ILE . 0.8 OUTLIER -59.84 -38.81 83.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.539 178.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -37.28 83.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.946 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -62.3 -40.07 95.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.228 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 t -60.54 -50.09 74.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.211 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.435 ' CG1' ' CD1' ' C' ' 46' ' ' LEU . 64.6 mt -59.77 -35.98 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.27 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -58.3 -44.41 88.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.273 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -39.55 95.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.246 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.93 -41.34 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.767 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -64.92 -52.66 55.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.626 0.25 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.456 ' O ' ' HB3' ' B' ' 84' ' ' LEU . 0.6 OUTLIER -88.01 -36.99 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.042 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.456 ' HB3' ' O ' ' B' ' 83' ' ' ILE . 9.2 tp 70.21 -52.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.947 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.01 115.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' B' ' 90' ' ' PHE . 1.3 mt -54.21 -24.63 11.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.705 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.02 -44.47 84.62 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.954 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.43 -34.22 36.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.658 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.49 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.28 -31.76 66.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.235 179.277 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' B' ' 86' ' ' ILE . 19.2 t80 -72.28 -50.03 30.21 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.973 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -29.94 70.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.423 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 45.4 m -63.58 -51.65 64.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.335 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 89' ' ' LEU . 0.8 OUTLIER -56.63 -37.18 70.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.558 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -59.46 -41.11 88.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.573 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.9 t60 -68.86 -53.47 21.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' B' ' 93' ' ' LEU . 7.7 mt -52.04 -38.37 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.874 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -49.41 72.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.742 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -82.66 -1.04 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.43 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' THR . . . . . 0.401 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -101.53 -33.69 9.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.493 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 45.7 mt -91.22 -55.46 3.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.245 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.94 36.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.719 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.1 27.04 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.543 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.99 -73.58 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.693 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -60.08 -27.39 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.251 0.548 . . . . 0.0 109.658 179.05 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.434 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 0.4 OUTLIER -73.16 -47.42 43.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.408 179.092 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -66.69 -31.05 71.47 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.971 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' B' ' 104' ' ' GLN . 5.5 pt-20 -74.04 -39.34 63.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.133 0.492 . . . . 0.0 109.98 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.413 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 19.5 m-20 -70.91 -43.26 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' C' ' 19' ' ' LEU . 5.7 mt -59.29 -49.3 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.537 178.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' SER . . . . . 0.441 ' HA ' ' CD1' ' B' ' 113' ' ' LEU . 0.5 OUTLIER -54.54 -39.0 67.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.121 179.617 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.42 HD22 HG23 ' C' ' 12' ' ' VAL . 0.5 OUTLIER -56.72 -51.11 70.08 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.278 179.017 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.429 ' HA ' ' CG ' ' B' ' 115' ' ' LEU . 1.0 OUTLIER -60.37 -39.62 87.89 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.646 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 4.6 mt -60.74 -41.37 95.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.999 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.85 -53.07 60.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.804 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.489 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 0.9 OUTLIER -64.9 -35.2 80.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.559 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.403 HG12 HG12 ' B' ' 86' ' ' ILE . 49.3 t -69.09 -40.64 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.292 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 51.7 mt-30 -81.45 -13.02 58.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.91 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -53.01 123.05 10.59 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.639 0.257 . . . . 0.0 110.401 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -49.14 -59.43 3.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.61 -50.28 74.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.774 0.321 . . . . 0.0 111.005 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 6.1 t80 -56.25 -52.29 64.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.619 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -49.83 -38.06 33.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . 0.44 ' O ' HG13 ' B' ' 127' ' ' ILE . 3.8 m-20 -65.89 -48.69 70.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.655 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.407 ' CB ' ' NE2' ' C' ' 54' ' ' GLN . . . -56.96 -49.63 75.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.444 ' HA ' ' CE1' ' C' ' 47' ' ' PHE . 26.2 t80 -59.76 -34.86 73.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.566 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -31.86 72.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.374 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' D' ' 123' ' ' ASN . 7.8 mt -67.01 -49.68 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.374 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.655 ' O ' ' HB ' ' B' ' 132' ' ' THR . 23.7 t-80 -69.92 -37.61 75.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.599 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.42 ' ND2' HG23 ' B' ' 83' ' ' ILE . 15.0 t-20 -55.46 -60.65 3.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.724 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.71 -49.04 72.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.663 0.268 . . . . 0.0 111.541 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 127' ' ' ILE . 79.3 mt -56.74 -41.63 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.151 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.655 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -61.28 -43.78 98.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.164 0.507 . . . . 0.0 109.704 179.031 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.402 HG21 HG22 ' B' ' 83' ' ' ILE . 46.7 t -52.94 -51.01 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.754 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.3 -30.78 71.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.495 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 11.1 ttm -57.46 -61.93 2.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.863 0.363 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' C' ' 12' ' ' VAL . 5.3 mm-40 -60.79 -36.14 78.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.403 ' O ' ' HB ' ' C' ' 12' ' ' VAL . 3.0 tptm -64.78 -48.99 72.46 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 6.4 mmt -61.81 -36.02 79.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.428 ' O ' HG23 ' C' ' 15' ' ' VAL . 7.6 tm0? -70.92 -34.65 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.566 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . 0.42 HG23 HD22 ' B' ' 111' ' ' LEU . 2.5 t -58.93 -51.28 74.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.426 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.44 ' HB3' ' CE2' ' C' ' 39' ' ' TYR . 16.0 mt -60.74 -45.07 95.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.959 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -28.56 69.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.662 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.428 HG23 ' O ' ' C' ' 11' ' ' GLN . 2.5 t -73.69 -36.73 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.902 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 11.6 mt -64.17 -40.57 96.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.51 -40.39 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -54.07 31.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.948 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' B' ' 109' ' ' ILE . 75.2 mt -54.98 -57.63 10.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.79 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . 0.428 ' HB3' ' CD1' ' C' ' 35' ' ' LEU . 1.1 ppt_? -55.09 -30.52 59.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.74 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.93 -46.85 88.13 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.812 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -61.49 -37.44 83.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 110.564 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 26.7 mt -62.93 -50.19 71.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.982 0.42 . . . . 0.0 110.366 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -27.97 65.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.063 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.32 -32.51 29.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.592 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -81.27 -31.06 33.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.176 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.23 21.52 3.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.632 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.44 81.93 1.7 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.874 0.368 . . . . 0.0 110.179 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.4 15.67 13.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.248 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 20.1 m -88.78 -43.31 11.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.396 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.411 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 3.1 mp0 -76.33 -26.67 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.789 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -51.45 -42.38 61.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.726 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.94 -32.64 66.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.133 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -72.57 -44.15 62.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.176 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' C' ' 35' ' ' LEU . 1.2 mt -64.37 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.48 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 m -77.16 -33.84 56.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.206 0.527 . . . . 0.0 109.965 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.24 -44.65 62.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.544 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.45 ' CD1' HD21 ' B' ' 89' ' ' LEU . 24.5 t80 -70.35 -44.32 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.36 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.466 ' CZ ' ' HD3' ' C' ' 43' ' ' LYS . 22.7 t80 -58.86 -53.67 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.029 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.423 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 6.3 mm-40 -58.94 -48.11 82.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.665 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 60.2 m -57.85 -40.64 80.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.505 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' C' ' 38' ' ' PHE . 1.7 mt -61.42 -32.79 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.213 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.466 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -72.41 -32.77 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.739 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -46.82 122.35 7.22 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.209 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.35 -37.65 59.36 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.513 2.142 . . . . 0.0 112.134 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.435 ' CD1' ' CG1' ' A' ' 57' ' ' ILE . 1.5 tp -64.76 -55.02 22.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.191 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' B' ' 125' ' ' PHE . 11.4 t80 -58.03 -42.15 84.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.323 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.92 -38.68 70.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.166 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.95 -40.55 96.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.092 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . 0.409 HG12 ' CD2' ' A' ' 53' ' ' LEU . 3.9 mt -59.32 -47.75 89.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.764 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.431 HD21 ' CZ ' ' C' ' 47' ' ' PHE . 0.5 OUTLIER -67.87 -42.8 80.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.385 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 68.4 m -55.18 -39.7 69.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.996 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . 0.403 ' CD2' HG12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -63.14 -49.33 74.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.999 179.073 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . 0.407 ' NE2' ' CB ' ' B' ' 124' ' ' ALA . 0.1 OUTLIER -58.97 -35.5 73.27 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.125 179.18 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -62.99 -37.97 89.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.045 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -52.72 63.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.071 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.433 ' CG1' ' CD1' ' A' ' 46' ' ' LEU . 56.5 mt -60.05 -41.62 86.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.178 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -35.39 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.94 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -66.25 -40.39 90.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.036 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.9 -45.1 82.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.44 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.856 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.498 ' CD1' ' CG2' ' D' ' 133' ' ' VAL . 1.1 pt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.661 0.267 . . . . 0.0 110.581 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.655 HD13 ' HG3' ' A' ' 34' ' ' LYS . 2.4 pt? -157.92 -0.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.0 OUTLIER 58.75 143.15 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.897 0.38 . . . . 0.0 110.899 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.623 ' HA ' ' CD2' ' D' ' 89' ' ' LEU . 0.8 OUTLIER -70.3 -36.75 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.365 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -38.38 88.55 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.649 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -43.92 32.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.782 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.623 ' CD2' ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -72.81 -28.26 62.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.827 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.497 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 25.6 t80 -70.37 -43.86 69.27 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 6.6 t -62.69 -34.88 78.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 92' ' ' SER . . . . . 0.448 ' CB ' ' HG2' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -62.89 -53.08 59.62 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.66 179.215 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.668 ' HA ' HD11 ' D' ' 96' ' ' ILE . 0.6 OUTLIER -53.77 -36.19 62.12 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -59.43 -45.22 92.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -66.37 -56.15 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.668 HD11 ' HA ' ' D' ' 93' ' ' LEU . 4.2 mt -50.9 -34.51 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.192 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -48.51 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -76.66 -19.21 58.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.45 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -84.81 -37.56 20.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.949 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' D' ' 105' ' ' SER . 44.4 mt -100.1 84.29 2.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.04 36.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.24 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -91.1 16.41 9.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.28 -68.34 0.19 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.211 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -57.45 -33.72 68.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.123 0.487 . . . . 0.0 110.415 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.426 ' CB ' ' HB3' ' D' ' 100' ' ' LEU . 0.2 OUTLIER -68.08 -41.39 81.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.596 179.591 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -34.1 74.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.059 0.457 . . . . 0.0 110.139 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -42.26 76.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.805 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . 0.431 ' HB3' HG11 ' A' ' 15' ' ' VAL . 58.1 m-20 -70.23 -41.81 73.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.613 0.72 . . . . 0.0 109.086 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.461 HG13 ' CD1' ' A' ' 19' ' ' LEU . 4.3 mt -60.69 -49.33 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.502 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 110' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' D' ' 113' ' ' LEU . 56.6 m -56.84 -33.54 66.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.107 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . 0.412 ' HA ' ' HG2' ' D' ' 114' ' ' GLN . 0.4 OUTLIER -59.71 -51.44 69.78 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.969 179.228 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . 0.426 ' CD2' HG12 ' A' ' 15' ' ' VAL . 4.0 mt -60.16 -43.92 95.42 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' D' ' 117' ' ' GLN . 4.0 mt -57.25 -46.45 83.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.347 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . 0.564 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -60.95 -38.6 86.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.841 -179.811 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.564 ' N ' ' HG3' ' D' ' 114' ' ' GLN . 6.1 mp -67.11 -44.23 80.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.475 ' CG1' HG21 ' D' ' 86' ' ' ILE . 71.1 t -58.87 -53.22 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.319 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -64.39 -25.1 67.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.224 -179.643 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.8 125.51 17.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 110.699 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -58.16 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.579 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.13 -50.33 71.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.149 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.1 t80 -56.44 -56.21 23.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.486 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -50.97 -33.73 25.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.618 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.447 ' HB3' ' CD1' ' B' ' 127' ' ' ILE . 16.8 m-20 -68.42 -46.36 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.031 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.1 -49.43 77.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.487 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.477 ' CE2' HD21 ' D' ' 84' ' ' LEU . 14.3 t80 -64.01 -34.7 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.704 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -35.03 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.496 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.442 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 55.4 mt -72.38 -49.73 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.002 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.646 ' O ' ' HB ' ' D' ' 132' ' ' THR . 3.7 t-80 -67.59 -36.53 81.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -66.56 -60.11 3.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.3 65.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . 0.456 HG21 HD11 ' D' ' 131' ' ' ILE . 70.1 mt -54.53 -45.67 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.401 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.646 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -57.18 -44.29 83.4 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.315 0.579 . . . . 0.0 109.746 179.1 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.498 ' CG2' ' CD1' ' D' ' 83' ' ' ILE . 46.4 t -57.29 -44.73 84.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.659 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -33.09 74.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.998 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 13.7 ttm . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.547 179.53 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.918 0.39 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.19 -54.03 20.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.6 tttp -54.83 -43.29 72.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.982 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.64 -48.28 81.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.994 0.426 . . . . 0.0 109.865 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.4 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 30.3 tp60 -64.06 -31.9 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.671 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 9' ' ' LYS . 57.9 t -61.21 -55.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.453 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' ' 42' ' ' LEU . 16.1 mt -54.01 -44.25 70.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.019 0.438 . . . . 0.0 110.031 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -28.61 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.604 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.41 HG13 ' CD2' ' D' ' 112' ' ' LEU . 2.2 t -73.87 -37.11 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.874 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' A' ' 39' ' ' TYR . 61.4 mt -64.05 -40.8 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.614 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -68.07 -44.1 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.827 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -54.5 40.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.026 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 71.7 mt -52.96 -56.53 15.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.437 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' CB ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -48.76 -37.85 20.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.974 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.78 -51.21 60.07 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.099 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.35 -34.91 69.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 111.157 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 21.8 mt -66.59 -50.34 63.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -27.69 64.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.398 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.75 -36.68 25.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.138 0.494 . . . . 0.0 110.223 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -76.01 -32.13 59.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.316 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.41 21.23 5.57 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.553 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.85 81.12 1.44 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.05 0.452 . . . . 0.0 109.98 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.85 21.25 6.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.209 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 m -93.69 -44.29 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.491 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -73.21 -25.6 60.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.544 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -48.69 -40.37 27.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.703 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.01 -32.93 68.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.073 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -74.91 -41.22 60.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.175 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -67.16 -34.88 78.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.228 179.485 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -75.87 -35.52 59.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.676 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.16 -41.93 73.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.131 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.45 ' HB2' ' CD2' ' D' ' 84' ' ' LEU . 3.0 t80 -71.47 -51.05 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.505 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.477 ' CE2' ' HD3' ' A' ' 43' ' ' LYS . 80.6 t80 -54.0 -54.3 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.539 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.3 -52.2 66.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.411 HG22 ' CD2' ' A' ' 47' ' ' PHE . 85.0 m -58.62 -36.09 73.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.944 0.402 . . . . 0.0 110.476 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.432 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -62.32 -32.22 72.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.115 179.115 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HD3' ' CE2' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -78.32 -30.61 48.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.298 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -43.42 140.34 2.28 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.667 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.33 -44.9 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.616 2.211 . . . . 0.0 112.403 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.417 ' CD1' HG12 ' C' ' 57' ' ' ILE . 0.4 OUTLIER -59.1 -55.21 37.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.153 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.411 ' CD2' HG22 ' A' ' 41' ' ' THR . 11.9 t80 -56.94 -40.28 76.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -57.43 -44.46 84.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.506 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -58.16 -38.9 77.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.263 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.3 mt -61.83 -52.49 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.909 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.58 -35.42 80.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.9 m -53.59 -50.19 66.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.285 0.564 . . . . 0.0 109.706 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.406 ' CD2' HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -58.89 -45.19 90.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.407 178.481 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -60.98 -31.8 71.38 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.799 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -61.04 -42.92 99.38 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.662 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -43.78 96.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.523 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.434 ' CG1' ' CD1' ' C' ' 46' ' ' LEU . 62.0 mt -60.24 -38.29 76.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.793 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -38.9 80.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.929 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.45 -40.03 94.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.272 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -55.22 -50.33 69.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.579 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -60.37 -42.59 96.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.419 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.725 0.298 . . . . 0.0 110.706 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.429 ' CD1' ' N ' ' B' ' 83' ' ' ILE . 0.2 OUTLIER -92.92 -54.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.401 . . . . 0.0 110.892 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.405 ' HB2' ' HB2' ' C' ' 37' ' ' ALA . 2.8 tp 62.49 52.68 2.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 84' ' ' LEU . 5.1 mm-40 -37.39 126.12 1.05 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.645 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.563 HG13 HD22 ' B' ' 89' ' ' LEU . 0.9 OUTLIER -49.44 -27.43 2.74 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.651 -179.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.54 -40.81 96.27 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.246 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -37.96 33.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.143 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.563 HD22 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.2 -28.88 63.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.319 179.399 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 50.6 t80 -72.5 -50.0 29.0 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -28.92 69.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' SER . . . . . 0.422 ' C ' HD11 ' B' ' 96' ' ' ILE . 28.7 t -63.57 -53.44 51.74 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.456 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.515 HD22 ' N ' ' B' ' 93' ' ' LEU . 0.4 OUTLIER -58.84 -34.08 71.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -59.73 -42.96 94.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.438 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.434 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.5 t60 -68.33 -52.85 28.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.422 HD11 ' C ' ' B' ' 92' ' ' SER . 9.6 mt -51.68 -39.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.994 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -51.93 65.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -80.2 -4.6 53.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.418 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' THR . . . . . 0.402 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -96.76 -33.54 11.66 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.41 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.437 ' CD1' HD23 ' C' ' 19' ' ' LEU . 27.1 mt -90.96 -57.9 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.165 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.81 36.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.778 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -96.61 26.03 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.629 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' B' ' 106' ' ' GLN . 0.5 OUTLIER 66.51 -72.42 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.59 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -61.81 -29.11 69.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.153 0.502 . . . . 0.0 109.668 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.28 -46.32 56.31 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.76 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' B' ' 103' ' ' SER . 4.2 pt20 -63.77 -30.4 71.5 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.587 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -40.98 66.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 0.0 110.256 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.415 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 49.7 m-20 -70.67 -42.34 70.88 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.449 HG13 ' CD2' ' C' ' 19' ' ' LEU . 5.7 mt -60.73 -49.38 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.492 178.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' SER . . . . . 0.416 ' HA ' ' CD1' ' B' ' 113' ' ' LEU . 1.3 m -56.35 -34.89 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.095 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -51.56 69.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.211 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.406 ' CD2' HG11 ' C' ' 15' ' ' VAL . 2.4 mt -61.18 -43.04 99.5 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' B' ' 117' ' ' GLN . 4.4 mt -56.35 -49.74 73.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.681 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.416 ' HA ' ' CG ' ' B' ' 117' ' ' GLN . 6.3 mt-30 -60.93 -44.0 97.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.465 ' O ' ' CG ' ' B' ' 121' ' ' PHE . 3.0 mp -60.31 -41.45 93.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.737 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.425 ' CG1' HG21 ' B' ' 86' ' ' ILE . 64.5 t -65.09 -53.6 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.534 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' B' ' 113' ' ' LEU . 0.1 OUTLIER -65.54 -16.32 63.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.85 -179.28 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.95 131.54 44.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.824 0.345 . . . . 0.0 110.642 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.36 -58.69 7.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.59 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.52 -48.64 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' B' ' 115' ' ' LEU . 12.2 t80 -55.74 -53.26 58.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.57 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 1.4 mt-30 -49.76 -40.18 40.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.383 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -59.95 -45.67 91.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.82 98.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.439 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 3.5 t80 -64.41 -36.54 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.203 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 2.9 mmtt -68.26 -40.79 81.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.993 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.433 HD13 HD11 ' D' ' 127' ' ' ILE . 6.1 mt -60.92 -49.92 82.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.097 0.475 . . . . 0.0 110.607 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.692 ' O ' ' HB ' ' B' ' 132' ' ' THR . 28.0 t-80 -69.55 -35.37 75.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.449 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.407 ' ND2' ' CG2' ' B' ' 83' ' ' ILE . 9.7 t-20 -55.36 -60.48 3.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.579 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.82 -49.74 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.627 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 81.8 mt -56.74 -47.11 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.237 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.692 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -55.51 -47.81 75.65 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.316 0.579 . . . . 0.0 109.563 179.092 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 63.3 t -55.27 -48.28 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.464 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.14 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -44.23 83.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.514 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 40.8 t30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.9 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.96 -49.03 76.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 7.0 ttpt -58.5 -43.3 89.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 2.4 mmt -61.02 -45.05 96.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.862 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.401 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 31.8 tp60 -67.46 -33.78 75.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.5 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.71 -52.58 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.819 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.431 ' HB3' ' CE2' ' C' ' 39' ' ' TYR . 13.6 mt -58.11 -40.69 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.384 . . . . 0.0 110.14 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -28.53 64.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.684 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' B' ' 108' ' ' ASP . 2.1 t -72.23 -41.0 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.767 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.07 -41.46 97.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.49 -40.88 96.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.532 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -69.7 -54.45 13.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.449 ' CD2' HG13 ' B' ' 109' ' ' ILE . 77.1 mt -54.37 -55.45 28.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.13 0.491 . . . . 0.0 110.337 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . 0.45 ' HG2' ' HA ' ' C' ' 32' ' ' ASN . 4.1 tmm_? -52.37 -41.02 62.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.139 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.26 97.28 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.196 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -66.98 -32.55 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.946 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 41.6 mt -67.73 -50.77 55.6 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.17 0.509 . . . . 0.0 110.168 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -26.67 68.88 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.177 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.99 -34.84 26.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.625 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.33 -29.29 42.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.434 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.37 14.25 4.99 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.708 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -108.05 79.82 1.31 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.977 0.418 . . . . 0.0 109.953 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.77 23.7 4.61 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.202 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.9 m -102.43 -54.58 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.124 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.434 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 2.1 mm-40 -74.84 -21.11 59.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.548 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . 0.45 ' HA ' ' HG2' ' C' ' 20' ' ' ARG . 0.0 OUTLIER -55.26 -34.24 63.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.038 0.447 . . . . 0.0 110.272 179.548 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -32.9 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.57 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -65.17 -44.64 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.739 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 mt -62.78 -31.97 73.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.456 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 50.2 m -75.77 -34.64 60.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.924 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' B' ' 84' ' ' LEU . . . -71.82 -45.73 60.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.355 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.427 ' CD2' HD12 ' C' ' 42' ' ' LEU . 51.3 t80 -66.61 -50.96 61.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.175 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.496 ' CZ ' ' HD3' ' C' ' 43' ' ' LYS . 8.7 t80 -54.95 -53.7 52.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.063 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.481 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 2.0 mt-10 -57.96 -48.8 78.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.772 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' THR . . . . . 0.4 HG21 ' CD2' ' C' ' 47' ' ' PHE . 91.3 m -53.77 -39.9 65.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.302 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.427 HD12 ' CD2' ' C' ' 38' ' ' PHE . 4.5 mt -63.66 -33.56 75.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.202 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.496 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 3.0 mmmt -69.99 -29.6 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.759 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -45.76 133.95 6.5 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.264 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.03 -47.53 2.36 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.501 2.134 . . . . 0.0 112.178 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.434 ' CD1' ' CG1' ' A' ' 57' ' ' ILE . 2.1 tp -62.73 -52.06 64.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.226 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.4 ' CD2' HG21 ' C' ' 41' ' ' THR . 13.2 t80 -55.39 -43.51 75.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.512 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -57.15 -39.59 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.319 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.27 -37.72 88.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.501 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . 0.406 HG12 ' CD2' ' A' ' 53' ' ' LEU . 3.3 mt -61.7 -46.49 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.469 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -39.58 94.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.082 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 26.5 m -53.72 -46.58 70.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.985 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.21 -45.1 94.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.797 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -35.94 75.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.262 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -63.12 -39.2 94.0 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.138 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 45.8 t -60.81 -46.45 90.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.867 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.417 HG12 ' CD1' ' A' ' 46' ' ' LEU . 7.5 mt -60.93 -35.25 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.12 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -60.14 -40.61 90.41 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.751 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.8 -43.59 98.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.959 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.12 -50.94 57.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.508 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.502 ' CD1' ' CG2' ' D' ' 133' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.61 0.243 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.451 HD23 ' CZ ' ' D' ' 125' ' ' PHE . 56.9 tp -157.68 -39.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 111.306 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.26 100.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.044 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.563 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 0.8 OUTLIER -49.99 -24.96 2.13 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.7 -179.166 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.37 -48.98 77.37 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.85 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -74.69 -36.26 62.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.757 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.492 ' CD2' HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -70.57 -28.75 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.618 179.601 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.1 t80 -71.86 -48.95 42.39 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 27.1 t -62.0 -28.96 69.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.697 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 92' ' ' SER . . . . . 0.403 ' O ' ' CD1' ' D' ' 96' ' ' ILE . 2.3 t -64.71 -53.54 45.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.818 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.667 ' HA ' HD13 ' D' ' 96' ' ' ILE . 0.6 OUTLIER -57.83 -37.71 74.33 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.849 0.357 . . . . 0.0 110.304 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -59.22 -43.24 92.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.822 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -68.57 -53.97 19.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.667 HD13 ' HA ' ' D' ' 93' ' ' LEU . 5.4 mt -50.68 -37.47 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.048 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -48.82 74.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.752 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -1.98 52.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.409 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.6 m -100.54 -34.37 9.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.577 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . . . . . . . . . 15.0 mt -87.62 -53.95 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.413 . . . . 0.0 110.226 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.84 37.1 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.646 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.2 OUTLIER -97.56 23.14 8.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.743 179.651 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 33.1 t 65.8 -71.71 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.72 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' D' ' 102' ' ' ASP . 39.3 tp60 -60.9 -30.96 70.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.147 0.499 . . . . 0.0 109.94 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.424 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 0.4 OUTLIER -70.8 -39.65 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.475 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.71 -36.04 82.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.948 0.404 . . . . 0.0 110.261 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.57 -40.46 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.752 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . 0.407 ' HB3' HG12 ' A' ' 15' ' ' VAL . 41.5 m-20 -70.7 -44.16 67.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.451 HG13 ' CD1' ' A' ' 19' ' ' LEU . 4.2 mt -58.72 -49.41 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.428 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 110' ' ' SER . . . . . 0.415 ' HA ' HD13 ' D' ' 113' ' ' LEU . 70.8 m -57.35 -34.77 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.024 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -51.34 69.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.941 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . 0.41 ' CD2' HG13 ' A' ' 15' ' ' VAL . 1.1 mt -63.73 -40.18 96.12 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.439 178.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' D' ' 110' ' ' SER . 5.8 mt -59.17 -40.49 85.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.616 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -52.49 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.43 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.479 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 0.7 OUTLIER -60.27 -50.66 72.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.299 0.571 . . . . 0.0 109.72 179.133 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.422 ' CG1' HG12 ' D' ' 86' ' ' ILE . 89.2 t -54.3 -40.85 49.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.442 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.433 ' NE2' ' CE1' ' D' ' 90' ' ' PHE . 70.9 mt-30 -86.54 -7.8 58.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.646 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.87 131.64 47.28 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.778 0.323 . . . . 0.0 110.429 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -58.61 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.682 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.31 -50.05 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.414 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.1 t80 -55.73 -55.63 29.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.785 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -54.48 -35.06 62.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.231 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.576 ' O ' HG13 ' D' ' 127' ' ' ILE . 97.0 m-20 -61.08 -51.41 69.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.793 0.33 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.32 -49.1 75.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.214 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.454 ' CG ' HD12 ' D' ' 86' ' ' ILE . 1.7 t80 -53.64 -41.52 66.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -36.38 83.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.455 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.576 HG13 ' O ' ' D' ' 123' ' ' ASN . 13.8 mt -63.2 -49.71 82.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.082 0.468 . . . . 0.0 110.427 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.776 ' O ' ' HB ' ' D' ' 132' ' ' THR . 13.5 t-80 -66.13 -27.87 68.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.694 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -64.87 -60.62 2.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.734 0.302 . . . . 0.0 111.662 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.22 -50.72 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.945 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . 0.464 HD11 HG23 ' D' ' 131' ' ' ILE . 54.0 mt -53.81 -40.29 43.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.243 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.776 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.6 OUTLIER -63.3 -50.58 69.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.329 0.585 . . . . 0.0 109.484 178.789 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.502 ' CG2' ' CD1' ' D' ' 83' ' ' ILE . 53.7 t -55.42 -50.08 68.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.9 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.33 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.296 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.815 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.87 0.366 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -58.21 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.73 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 7.6 ttpt -57.7 -41.79 82.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.53 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -42.69 98.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -69.27 -33.37 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.496 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.45 -56.15 19.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.291 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 24.3 mt -53.86 -47.33 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.004 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -28.19 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.729 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' D' ' 108' ' ' ASP . 2.1 t -73.93 -36.79 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.132 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.0 mt -64.32 -41.89 96.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -39.24 74.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.772 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -54.09 28.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.999 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' D' ' 109' ' ' ILE . 66.4 mt -55.37 -57.78 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.028 0.442 . . . . 0.0 110.759 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 4.4 ppt_? -55.01 -30.17 58.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.71 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.26 -48.85 65.33 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.865 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -60.95 -32.93 72.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.38 . . . . 0.0 110.433 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' HB3' ' O ' ' A' ' 28' ' ' ASP . 39.6 mt -65.1 -50.4 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.455 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -27.02 64.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.895 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.19 -29.39 31.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.517 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.08 -38.32 20.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.448 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.96 -17.92 5.96 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.919 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.475 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 8.8 m-20 -92.93 68.88 4.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.032 0.444 . . . . 0.0 110.02 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.5 t -86.07 13.34 7.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.642 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.22 -35.32 73.8 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.627 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.405 ' HG2' ' CD2' ' D' ' 95' ' ' HIS . 2.6 mp0 -79.94 -22.73 42.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.714 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 29' ' ' THR . 2.8 m-20 -48.51 -46.11 38.06 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.82 0.343 . . . . 0.0 110.633 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -32.52 66.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.903 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -72.14 -36.57 69.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.264 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 1.0 OUTLIER -70.24 -39.84 74.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.0 p -72.23 -37.63 69.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.393 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.18 -47.13 87.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.605 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.458 ' HB2' ' CD2' ' D' ' 84' ' ' LEU . 4.3 t80 -69.77 -36.22 75.57 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.262 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.607 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -53.87 -54.08 43.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.357 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.88 -52.16 52.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.006 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.9 m -53.04 -27.83 21.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.826 0.346 . . . . 0.0 110.532 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 38' ' ' PHE . 5.9 mt -75.51 -39.07 58.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HE3' ' CD1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -67.35 -24.95 65.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -46.71 119.74 5.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.388 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.37 -45.34 12.08 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.531 2.154 . . . . 0.0 111.945 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.409 ' CD1' ' CG1' ' C' ' 57' ' ' ILE . 0.5 OUTLIER -59.86 -44.73 94.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.004 179.501 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' D' ' 125' ' ' PHE . 16.0 t80 -57.8 -45.22 86.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.473 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -56.73 -40.04 75.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.485 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -61.01 -40.59 94.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.508 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.9 mt -60.25 -48.44 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.747 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -40.68 95.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.446 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.7 m -53.6 -47.17 70.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.018 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.24 -45.54 87.56 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.669 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -60.93 -33.93 73.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.82 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -41.13 90.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.763 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 m -61.3 -49.13 78.27 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.867 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.455 HG12 ' CD1' ' C' ' 46' ' ' LEU . 15.0 mt -61.63 -37.55 78.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.967 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -35.98 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.016 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -58.46 -61.28 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.836 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.43 -46.2 47.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.567 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HG2' ' HG3' ' B' ' 135' ' ' MET . 5.8 mtmt -47.99 -44.45 30.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.724 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.799 179.765 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.647 0.261 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' B' ' 83' ' ' ILE . 0.2 OUTLIER -92.21 -61.42 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 0.0 111.019 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.41 HD22 ' CA ' ' C' ' 38' ' ' PHE . 2.7 tp 63.52 53.17 2.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.15 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -41.11 128.2 2.8 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.492 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.466 ' HA ' HD22 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -49.43 -24.99 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.832 -178.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.87 -45.95 87.12 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.339 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -36.09 53.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.037 0.446 . . . . 0.0 109.942 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.48 -30.22 64.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.675 179.7 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' B' ' 86' ' ' ILE . 15.3 t80 -72.47 -45.8 57.84 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 23.1 m -63.06 -31.4 72.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.532 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' SER . . . . . 0.405 ' O ' ' CD1' ' B' ' 96' ' ' ILE . 1.5 m -63.07 -53.27 56.33 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.305 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.672 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.6 OUTLIER -56.46 -34.87 67.28 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.195 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -59.19 -44.4 92.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.616 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.423 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 2.2 t60 -67.18 -55.5 13.86 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' B' ' 93' ' ' LEU . 4.0 mt -50.78 -34.03 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.033 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -65.57 -50.11 66.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.707 179.576 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -75.91 -20.25 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.07 0.462 . . . . 0.0 110.427 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -83.4 -36.7 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.922 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.44 ' HB3' ' CB ' ' B' ' 105' ' ' SER . 54.5 mt -103.83 82.72 2.03 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.9 37.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.32 -178.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.16 17.87 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.098 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m 68.99 -68.31 0.19 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.185 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -34.68 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.951 0.405 . . . . 0.0 110.379 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.44 ' CB ' ' HB3' ' B' ' 100' ' ' LEU . 0.1 OUTLIER -67.82 -40.62 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.605 179.571 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -32.93 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 110.145 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.42 -41.71 72.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.693 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.404 ' HB3' HG12 ' C' ' 15' ' ' VAL . 7.8 m-20 -70.27 -43.39 70.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.457 HG13 ' CD1' ' C' ' 19' ' ' LEU . 4.5 mt -60.28 -49.3 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.507 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 21.7 m -55.71 -34.77 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.841 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -50.99 71.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.769 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.4 ' CD2' HG13 ' C' ' 15' ' ' VAL . 3.2 mt -60.8 -40.7 93.64 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.311 0.577 . . . . 0.0 109.465 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' B' ' 93' ' ' LEU . 4.0 mt -62.51 -40.52 97.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.611 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.559 ' HG3' ' N ' ' B' ' 115' ' ' LEU . 0.0 OUTLIER -63.93 -37.68 88.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.178 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.559 ' N ' ' HG3' ' B' ' 114' ' ' GLN . 3.6 mp -70.55 -53.41 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.431 0.634 . . . . 0.0 109.36 178.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.462 ' CG1' HG12 ' B' ' 86' ' ' ILE . 45.0 t -58.75 -34.95 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.55 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.42 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 38.7 mt-30 -87.4 -16.3 35.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.664 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.46 148.85 18.26 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.667 0.27 . . . . 0.0 110.636 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -58.96 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.152 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -59.92 -43.95 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.755 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 10.0 t80 -57.93 -56.37 22.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.419 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -50.01 -35.93 26.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.032 0.444 . . . . 0.0 110.418 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . 0.427 ' HB3' HG12 ' D' ' 127' ' ' ILE . 4.2 m-20 -61.59 -47.8 83.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.629 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' B' ' 127' ' ' ILE . . . -62.52 -49.25 76.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.297 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.484 ' HA ' ' CE2' ' C' ' 47' ' ' PHE . 7.6 t80 -62.06 -36.54 81.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.293 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 0.1 OUTLIER -64.47 -40.45 95.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.881 0.372 . . . . 0.0 110.581 -179.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.448 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 7.0 mt -61.07 -49.85 82.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.115 0.483 . . . . 0.0 110.634 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.736 ' O ' ' HB ' ' B' ' 132' ' ' THR . 38.8 t-80 -65.56 -40.28 92.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.199 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.42 ' HA ' HG22 ' B' ' 83' ' ' ILE . 0.0 OUTLIER -55.18 -56.08 24.0 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' B' ' 129' ' ' ASN . . . -68.35 -51.72 41.28 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . 0.424 ' CG2' ' CG2' ' A' ' 57' ' ' ILE . 66.1 mt -56.82 -42.93 78.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.318 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.736 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -58.72 -47.3 85.04 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.436 0.636 . . . . 0.0 109.341 178.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.407 ' N ' ' CG2' ' B' ' 132' ' ' THR . 86.3 t -52.54 -50.75 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.735 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -64.31 -30.81 71.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.885 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' MET . . . . . 0.4 ' HG3' ' HG2' ' A' ' 61' ' ' LYS . 34.3 ttm -51.49 -58.21 6.9 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.842 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 19.4 p30 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.017 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.88 0.371 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -59.28 -55.37 35.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.704 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.0 OUTLIER -60.4 -39.9 89.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.376 179.52 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.7 mmt -61.34 -44.82 96.54 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.407 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 26.6 tp60 -65.03 -36.5 84.56 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 69.6 t -59.59 -49.87 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.543 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' C' ' 9' ' ' LYS . 13.7 mt -57.4 -42.15 81.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -68.05 -28.52 67.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.53 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.407 ' CG2' ' NE2' ' C' ' 11' ' ' GLN . 6.4 t -73.38 -38.41 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.716 179.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 28.5 mt -64.17 -40.15 95.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.79 -43.12 69.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -65.33 -54.15 33.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.457 ' CD1' HG13 ' B' ' 109' ' ' ILE . 60.9 mt -52.4 -57.18 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.001 0.429 . . . . 0.0 110.619 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . 0.442 ' HG3' ' HB2' ' C' ' 35' ' ' LEU . 0.0 OUTLIER -51.62 -37.77 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.039 179.85 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.44 -45.92 94.75 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.948 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -62.63 -35.59 80.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.826 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 26.9 mt -65.58 -50.13 66.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.366 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . 0.408 ' CG ' ' ND2' ' C' ' 32' ' ' ASN . 0.0 OUTLIER -58.61 -28.46 65.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.073 179.219 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.6 -32.54 28.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.381 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.89 -31.75 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.288 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.79 24.1 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.54 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -118.05 81.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.01 0.433 . . . . 0.0 110.16 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.69 14.96 17.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.382 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 4.0 m -85.38 -44.43 12.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.309 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.423 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 1.5 mm-40 -78.75 -21.54 47.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.572 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . 0.408 ' ND2' ' CG ' ' C' ' 24' ' ' GLN . 22.8 m-20 -53.09 -46.13 68.52 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.0 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -56.7 -32.75 65.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.115 0.483 . . . . 0.0 110.227 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -69.44 -43.93 72.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.289 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.442 ' HB2' ' HG3' ' C' ' 20' ' ' ARG . 3.1 mt -61.16 -30.54 70.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.533 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -36.55 63.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' B' ' 84' ' ' LEU . . . -69.53 -50.0 49.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.337 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.426 ' CE2' HD11 ' C' ' 42' ' ' LEU . 40.7 t80 -63.48 -50.53 69.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.416 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' C' ' 13' ' ' LEU . 1.7 t80 -55.83 -53.44 56.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.929 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -42.37 88.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.367 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' THR . . . . . 0.475 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 93.3 m -61.68 -41.05 97.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.159 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' C' ' 38' ' ' PHE . 5.4 mt -62.6 -30.37 71.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.132 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -84.69 -27.84 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.579 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 74.6 m -43.74 139.52 2.79 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.597 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -59.96 -55.01 1.85 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.553 2.168 . . . . 0.0 112.216 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 57' ' ' ILE . 3.1 mm? -57.05 -54.97 40.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.936 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' B' ' 125' ' ' PHE . 10.5 t80 -50.83 -47.29 60.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.343 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.48 -40.52 71.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.751 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.97 -36.05 82.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . 0.432 HG13 ' O ' ' C' ' 46' ' ' LEU . 3.0 mt -62.43 -41.02 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.447 ' CD2' ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -70.92 -37.71 72.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.32 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 10.2 m -54.35 -46.97 73.06 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.22 -47.81 84.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.781 178.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -32.84 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.829 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.7 -38.32 90.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.662 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 6.1 t -60.7 -48.19 82.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.857 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.463 HD12 HG22 ' C' ' 57' ' ' ILE . 44.4 mt -59.86 -39.3 79.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.143 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -36.97 74.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.896 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.08 -38.21 85.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.1 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.25 -45.26 84.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.525 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mttt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.115 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.48 ' CD1' ' N ' ' D' ' 83' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 119.884 -0.103 . . . . 0.0 111.22 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 38' ' ' PHE . 11.2 tp 166.92 -39.65 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.71 0.29 . . . . 0.0 110.981 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 63.06 113.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.237 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.508 HG13 HD22 ' D' ' 89' ' ' LEU . 0.9 OUTLIER -55.97 -27.25 22.56 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.692 -179.291 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.64 -47.85 81.94 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.372 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -34.59 56.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.869 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.508 HD22 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.08 -29.65 64.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.541 179.476 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.5 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.2 t80 -72.48 -50.05 28.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.885 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 28.8 t -61.45 -31.07 71.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.485 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 92' ' ' SER . . . . . 0.429 ' C ' HD12 ' D' ' 96' ' ' ILE . 73.5 m -62.36 -53.12 59.6 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.427 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 1.1 mt -54.62 -37.93 66.2 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' D' ' 90' ' ' PHE . 2.3 mptm? -59.29 -38.7 80.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.39 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.7 t60 -69.9 -54.36 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' D' ' 93' ' ' LEU . 7.7 mt -50.88 -39.08 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.945 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -50.73 67.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.844 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -4.05 53.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.38 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 99' ' ' THR . . . . . 0.43 ' N ' ' O ' ' D' ' 95' ' ' HIS . 1.4 m -96.71 -35.1 11.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.43 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.404 ' CD1' ' HB3' ' D' ' 105' ' ' SER . 83.0 mt -91.51 -60.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.48 46.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.916 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' D' ' 103' ' ' SER . 0.5 OUTLIER -94.8 -63.53 1.16 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.17 179.251 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 103' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' D' ' 102' ' ' ASP . 5.3 t 159.74 -60.39 0.0 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.671 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -71.21 -33.08 69.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.307 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.407 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 3.0 m -72.1 -35.09 69.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.32 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.96 -42.38 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.057 0.456 . . . . 0.0 110.151 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.8 -38.64 86.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.215 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . 0.441 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 84.9 m-20 -70.74 -41.17 72.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.607 0.717 . . . . 0.0 109.164 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.459 HG13 ' CD2' ' A' ' 19' ' ' LEU . 6.7 mt -60.29 -50.07 81.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.555 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -33.21 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.715 179.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -51.36 69.28 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.67 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . 0.424 ' CD2' HG13 ' A' ' 15' ' ' VAL . 2.4 mt -63.24 -43.99 96.47 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.411 178.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' D' ' 117' ' ' GLN . 8.3 mt -55.92 -40.61 73.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.778 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.83 -52.23 65.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.613 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.476 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 0.7 OUTLIER -60.92 -50.37 73.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.352 0.596 . . . . 0.0 109.999 179.166 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.449 ' CG1' HG12 ' D' ' 86' ' ' ILE . 51.1 t -58.21 -37.92 65.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.69 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.443 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 43.1 mt-30 -86.17 -10.26 55.07 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.68 134.7 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.854 0.359 . . . . 0.0 110.553 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -58.6 7.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.255 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.63 -50.03 75.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 6.4 t80 -55.99 -48.12 76.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -54.78 -38.98 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.176 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.53 ' O ' HG13 ' D' ' 127' ' ' ILE . 79.5 m-20 -63.7 -51.98 62.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.54 75.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.255 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.463 ' CG ' ' CD1' ' D' ' 86' ' ' ILE . 12.9 t80 -54.59 -40.59 68.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.744 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' D' ' 126' ' ' LYS . 0.0 OUTLIER -64.34 -33.86 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.463 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.53 HG13 ' O ' ' D' ' 123' ' ' ASN . 56.5 mt -64.38 -49.82 79.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.112 0.482 . . . . 0.0 110.544 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.758 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.0 t-80 -67.77 -28.31 67.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.036 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . 0.404 ' HA ' ' CG2' ' D' ' 83' ' ' ILE . 0.8 OUTLIER -67.43 -60.54 2.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.293 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.87 68.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . . . . . . . . . 46.8 mt -55.72 -42.87 71.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.186 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.758 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.3 OUTLIER -61.07 -49.02 79.05 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.392 0.615 . . . . 0.0 109.488 178.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.454 HG21 HD13 ' D' ' 83' ' ' ILE . 47.8 t -57.01 -45.35 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.439 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -33.44 75.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.322 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 14.3 ttm . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.538 179.719 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -64.35 -58.32 6.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.753 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -61.05 -44.72 96.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.454 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -40.21 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -69.46 -34.32 74.22 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.407 HG21 ' CD2' ' D' ' 111' ' ' LEU . 40.0 t -60.52 -55.81 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.516 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HB3' ' CE1' ' A' ' 39' ' ' TYR . 16.8 mt -56.84 -40.84 76.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.013 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -28.66 67.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.318 178.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.407 HG12 ' CD2' ' D' ' 112' ' ' LEU . 2.2 t -73.67 -37.61 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.78 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.32 -41.3 96.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -71.04 -36.27 72.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.753 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -54.49 20.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 92.0 mt -53.68 -48.39 69.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.998 0.428 . . . . 0.0 109.917 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -49.73 -51.41 39.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.632 179.331 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.92 -46.56 55.2 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.898 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -58.91 -31.77 68.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.661 0.267 . . . . 0.0 111.043 179.582 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 27.3 mt -72.99 -45.32 58.57 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.116 0.484 . . . . 0.0 110.428 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.85 -26.55 65.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.155 179.248 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.57 -33.76 27.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.698 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 2.2 mptt -83.31 -32.06 26.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.457 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.15 -18.99 11.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.732 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 9.0 m-20 -71.46 77.16 0.78 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.012 0.434 . . . . 0.0 110.192 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.18 13.34 9.7 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.923 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.4 m -83.4 -48.8 9.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.718 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.428 ' HG2' ' CD2' ' D' ' 95' ' ' HIS . 2.8 mp0 -73.47 -24.67 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.702 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -51.43 -46.45 62.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.693 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -56.91 -32.6 66.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.253 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -70.56 -37.21 73.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.282 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.61 -30.29 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.566 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -77.05 -33.14 57.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.002 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.0 -44.75 60.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.383 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.462 ' CD1' HD23 ' D' ' 89' ' ' LEU . 41.9 t80 -68.31 -51.53 43.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.383 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 13' ' ' LEU . 3.3 t80 -54.06 -51.95 62.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.562 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.54 -51.78 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 111.078 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.458 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 89.5 m -54.17 -49.12 70.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.509 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.448 ' CD1' ' CE2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -54.02 -35.45 61.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.529 179.328 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.445 ' CD ' ' CE1' ' A' ' 39' ' ' TYR . 18.6 mtpt -79.6 -33.74 41.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.62 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.7 p -47.12 140.89 6.39 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.223 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.85 -38.03 5.89 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.522 2.148 . . . . 0.0 112.193 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.4 HD13 HG12 ' C' ' 57' ' ' ILE . 0.4 OUTLIER -62.05 -55.32 30.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.199 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CD2' ' CG2' ' A' ' 41' ' ' THR . 11.0 t80 -59.21 -42.73 91.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.218 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -56.09 -39.37 72.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.382 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -42.83 99.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.197 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.3 mt -58.46 -49.26 82.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.938 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.429 HD22 ' CZ ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -66.06 -34.55 78.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.157 179.714 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -53.46 -49.68 66.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.822 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' CD2' HG12 ' C' ' 50' ' ' ILE . 0.5 OUTLIER -61.29 -44.98 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.485 178.627 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -32.91 70.69 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.921 179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -37.97 87.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.009 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -48.99 79.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.905 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.424 ' CG1' ' CD1' ' C' ' 46' ' ' LEU . 70.3 mt -60.55 -35.75 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.926 178.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -36.29 76.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.716 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.33 -37.11 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.098 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.54 -47.5 79.28 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.636 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -64.3 -58.86 5.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.984 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.774 -179.693 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.517 ' CD1' ' CG2' ' B' ' 133' ' ' VAL . 1.3 mt -63.99 -146.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.171 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.456 ' HB2' ' HB3' ' C' ' 37' ' ' ALA . 7.6 tp -179.82 -36.36 0.01 OUTLIER 'General case' 0 C--O 1.231 0.096 0 O-C-N 122.241 -0.287 . . . . 0.0 111.276 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 56.73 105.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.311 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.539 HG13 ' CD2' ' B' ' 89' ' ' LEU . 1.0 OUTLIER -50.02 -24.98 2.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.344 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.04 -40.87 91.33 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.928 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . 0.426 ' HB3' ' HE2' ' C' ' 34' ' ' LYS . 1.0 OUTLIER -80.86 -37.66 29.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.584 178.516 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.539 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -69.53 -32.52 71.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.431 179.382 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 9.3 t80 -72.67 -50.03 27.66 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.901 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.1 m -62.12 -30.42 71.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -53.02 61.44 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.372 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.517 HD22 ' N ' ' B' ' 93' ' ' LEU . 0.8 OUTLIER -56.07 -37.15 68.93 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . 0.4 ' HA ' ' HG2' ' B' ' 97' ' ' GLN . 70.5 mmtt -59.89 -37.76 80.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.856 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.481 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.2 t60 -72.32 -49.9 30.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' B' ' 93' ' ' LEU . 9.2 mt -53.62 -43.32 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.454 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.414 ' HA ' ' CD1' ' B' ' 109' ' ' ILE . 10.8 pt20 -64.56 -41.19 96.47 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.468 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 29.8 t-80 -86.38 -0.7 56.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' THR . . . . . 0.427 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.2 m -102.28 -35.82 8.71 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.432 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.428 ' CD1' HD22 ' C' ' 19' ' ' LEU . 75.4 mt -88.39 -53.91 4.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.477 . . . . 0.0 109.831 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.57 43.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.008 178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' B' ' 103' ' ' SER . 4.6 m-20 -95.3 -63.76 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.055 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 102' ' ' ASP . 1.2 m 159.26 -58.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.964 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -29.94 66.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.557 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.42 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 0.2 OUTLIER -72.26 -38.24 68.89 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.577 179.251 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -42.52 93.87 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.07 0.462 . . . . 0.0 110.517 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -38.55 85.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.146 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.411 ' HB3' HG12 ' C' ' 15' ' ' VAL . 0.5 OUTLIER -70.72 -41.19 72.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.683 0.754 . . . . 0.0 109.13 178.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.445 HG13 ' CD2' ' C' ' 19' ' ' LEU . 8.3 mt -61.63 -49.9 82.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.567 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' SER . . . . . 0.403 ' HA ' ' CD1' ' B' ' 113' ' ' LEU . 1.8 t -56.16 -37.07 69.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.008 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.58 -51.22 69.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.881 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.41 ' O ' ' CG2' ' B' ' 116' ' ' VAL . 2.2 mt -62.69 -44.03 97.28 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.42 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 9.0 mt -54.74 -41.69 70.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.835 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.66 -51.98 66.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.973 0.416 . . . . 0.0 110.576 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.445 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.6 mp -59.57 -47.53 85.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.259 0.552 . . . . 0.0 110.224 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.451 ' CG1' HG22 ' B' ' 86' ' ' ILE . 48.5 t -58.91 -39.84 78.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.696 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.443 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 52.1 mt-30 -82.55 -13.16 57.07 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 130.67 48.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.645 0.26 . . . . 0.0 110.534 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -59.27 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 111.54 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -48.07 80.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.806 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.4 t80 -55.72 -49.42 73.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.687 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -39.58 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . 0.412 ' HB3' HG12 ' D' ' 127' ' ' ILE . 2.5 m-20 -65.33 -43.17 91.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.071 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.442 ' HA ' ' CD1' ' B' ' 127' ' ' ILE . . . -62.34 -49.49 75.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.076 0.465 . . . . 0.0 110.971 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.457 ' CD1' HD12 ' B' ' 86' ' ' ILE . 11.2 t80 -61.6 -34.93 76.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.604 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 0.0 OUTLIER -63.9 -38.15 90.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.255 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.466 HG12 ' HB3' ' D' ' 123' ' ' ASN . 9.2 mt -62.12 -49.79 82.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.117 0.484 . . . . 0.0 110.331 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.632 ' O ' ' HB ' ' B' ' 132' ' ' THR . 17.4 t-80 -65.38 -28.03 68.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.176 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.57 -61.19 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.81 -50.61 64.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.652 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . 0.428 HD11 HG21 ' B' ' 131' ' ' ILE . 54.9 mt -53.62 -42.63 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.519 0.199 . . . . 0.0 110.811 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.632 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.7 OUTLIER -57.86 -49.83 75.38 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.488 0.661 . . . . 0.0 109.389 178.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.517 ' CG2' ' CD1' ' B' ' 83' ' ' ILE . 24.5 t -53.79 -46.08 62.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.27 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.309 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -60.38 3.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.982 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.886 0.374 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -66.12 -56.87 9.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -43.1 93.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 5.8 mmt -61.71 -53.24 58.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.401 ' O ' ' CG2' ' C' ' 15' ' ' VAL . 30.4 tp60 -57.69 -39.13 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.686 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 24.8 t -54.78 -54.01 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.451 ' HB3' ' CE2' ' C' ' 39' ' ' TYR . 11.6 mt -53.66 -42.5 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.013 0.435 . . . . 0.0 110.146 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -28.09 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.859 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.411 HG12 ' HB3' ' B' ' 108' ' ' ASP . 80.1 t -73.22 -39.37 56.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.051 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 16.9 mt -64.75 -43.2 94.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.102 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.67 -43.04 81.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -64.66 -54.13 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.445 ' CD2' HG13 ' B' ' 109' ' ' ILE . 29.2 mt -54.67 -57.65 10.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.963 0.411 . . . . 0.0 110.692 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . 0.41 ' HB3' ' CD1' ' C' ' 35' ' ' LEU . 1.9 ppt_? -54.81 -30.1 56.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.864 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . 0.4 ' N ' ' HG3' ' C' ' 20' ' ' ARG . . . -66.67 -46.89 71.92 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.72 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -59.6 -35.63 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.71 0.29 . . . . 0.0 110.465 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 20.2 mt -66.28 -47.18 74.48 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.057 0.456 . . . . 0.0 110.253 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . 0.426 ' CG ' ' ND2' ' C' ' 32' ' ' ASN . 0.0 OUTLIER -57.75 -28.44 63.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.949 178.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -82.1 -30.85 30.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.693 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.83 -33.15 24.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.318 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.39 11.89 5.92 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.804 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -104.65 81.86 1.83 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.976 0.417 . . . . 0.0 110.003 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.52 19.52 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.037 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 55.3 m -91.13 -39.75 11.97 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.669 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.481 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 1.2 mm-40 -83.26 -24.22 32.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . 0.426 ' ND2' ' CG ' ' C' ' 24' ' ' GLN . 99.4 m-20 -51.68 -39.82 58.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.369 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.12 -41.02 95.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' C' ' 31' ' ' GLN . 2.8 mptt -59.49 -54.9 41.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.084 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.448 ' N ' ' CD2' ' C' ' 35' ' ' LEU . 1.3 mt -57.85 -39.77 78.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -73.44 -29.95 62.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.127 0.489 . . . . 0.0 109.941 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . 0.456 ' HB3' ' HB2' ' B' ' 84' ' ' LEU . . . -72.03 -46.48 56.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.666 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.43 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 9.0 t80 -71.05 -43.6 67.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.285 0.564 . . . . 0.0 110.002 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.466 ' CE1' ' HD3' ' C' ' 43' ' ' LYS . 22.4 t80 -55.4 -53.47 55.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.406 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 0.2 OUTLIER -59.33 -50.41 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.621 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' THR . . . . . 0.426 HG23 ' CE2' ' C' ' 47' ' ' PHE . 86.9 m -56.26 -40.56 74.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.43 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 3.8 mt -59.84 -35.42 74.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.146 0.498 . . . . 0.0 110.278 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.466 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 1.0 OUTLIER -70.91 -31.1 67.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.703 179.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.23 124.05 5.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.361 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.9 -50.31 7.96 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.428 2.085 . . . . 0.0 112.092 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.424 ' CD1' ' CG1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.91 -52.79 64.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.336 179.74 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.426 ' CE2' HG23 ' C' ' 41' ' ' THR . 15.4 t80 -56.18 -38.49 71.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -57.95 -41.68 83.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.25 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -36.44 83.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.995 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . 0.411 HG12 ' CD2' ' A' ' 53' ' ' LEU . 12.7 mt -58.74 -48.99 84.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.724 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -42.16 89.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.345 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 10.0 m -55.85 -41.56 74.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.187 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -49.98 74.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.071 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -34.98 74.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.352 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -61.26 -40.32 93.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.085 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 7.7 t -61.85 -45.89 91.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.86 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.4 HG12 HD13 ' A' ' 46' ' ' LEU . 5.3 mt -59.99 -36.86 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.212 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -39.95 91.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.94 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.28 -38.74 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.252 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.83 -47.59 82.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.47 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.94 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.808 0.337 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' D' ' 85' ' ' GLU . 16.2 tp -152.09 -37.86 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.3 OUTLIER 53.65 109.7 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.951 -179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 1.0 OUTLIER -49.93 -27.18 3.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.409 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.05 -43.95 93.95 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.233 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -34.55 41.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.738 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.51 ' CD2' ' HA ' ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.17 -30.07 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.254 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 26.4 t80 -72.46 -50.44 26.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.866 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 38.7 m -61.96 -29.44 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.555 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 92' ' ' SER . . . . . 0.42 ' C ' HD11 ' D' ' 96' ' ' ILE . 58.8 m -63.52 -52.86 59.39 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.456 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.7 OUTLIER -57.02 -36.78 70.85 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.519 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -59.56 -39.52 84.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.455 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.2 t60 -69.45 -52.77 23.56 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.429 ' HA ' ' HB ' ' D' ' 99' ' ' THR . 11.7 mt -51.5 -41.29 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.97 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . 0.403 ' HG3' HG21 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -61.57 -52.12 65.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.064 179.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.09 -5.19 55.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 0.0 110.312 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 99' ' ' THR . . . . . 0.433 ' N ' ' O ' ' D' ' 95' ' ' HIS . 1.9 m -94.43 -33.06 13.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.394 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.41 ' CD1' HD22 ' A' ' 19' ' ' LEU . 18.2 mt -90.61 -51.82 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.348 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.61 35.7 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.726 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.74 22.07 10.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.646 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.0 -71.65 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -59.15 -33.07 70.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.14 0.495 . . . . 0.0 110.025 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 0.5 OUTLIER -68.89 -39.8 79.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.347 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -35.67 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.145 0.498 . . . . 0.0 110.288 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -41.48 77.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.678 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . 0.402 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 42.7 m-20 -70.43 -43.0 70.82 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.426 HG13 ' CD2' ' A' ' 19' ' ' LEU . 5.2 mt -59.8 -49.2 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.623 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 110' ' ' SER . . . . . 0.408 ' HA ' ' CD1' ' D' ' 113' ' ' LEU . 8.3 t -55.83 -36.94 68.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.08 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . 0.407 ' CD2' HG21 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.86 -51.47 68.92 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.29 179.043 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . 0.407 ' CD2' HG12 ' A' ' 15' ' ' VAL . 2.8 mt -60.82 -43.18 98.55 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' D' ' 117' ' ' GLN . 4.0 mt -56.47 -48.5 76.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.58 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . 0.419 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 33.2 mt-30 -60.86 -45.97 92.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.074 0.464 . . . . 0.0 110.458 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' D' ' 121' ' ' PHE . 1.1 mp -58.59 -38.51 78.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.958 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.446 ' CG1' HG12 ' D' ' 86' ' ' ILE . 76.2 t -69.34 -53.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.744 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' D' ' 113' ' ' LEU . 0.1 OUTLIER -62.95 -17.75 62.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.917 -179.134 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -51.27 134.57 27.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.675 0.274 . . . . 0.0 110.638 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -61.51 -59.03 5.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.496 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.1 -50.02 74.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.374 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.448 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 10.3 t80 -56.71 -46.78 81.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.603 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.55 -40.77 65.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.466 ' HB3' HG12 ' B' ' 127' ' ' ILE . 6.1 m-80 -68.03 -48.23 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.859 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.16 -49.09 77.04 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.192 0.52 . . . . 0.0 110.823 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.44 ' CD1' HD12 ' D' ' 86' ' ' ILE . 14.1 t80 -59.36 -38.79 81.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.99 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -62.08 -37.92 86.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.711 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.459 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 12.2 mt -62.84 -49.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.672 ' O ' ' HB ' ' D' ' 132' ' ' THR . 7.3 t-80 -66.88 -38.19 85.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.052 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . 0.4 ' ND2' ' CE1' ' D' ' 125' ' ' PHE . 0.3 OUTLIER -64.54 -60.38 3.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.034 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.54 -52.56 62.97 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . 0.401 HG13 ' O ' ' D' ' 127' ' ' ILE . 57.4 mt -55.12 -35.91 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.75 0.31 . . . . 0.0 110.799 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.672 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.6 OUTLIER -64.71 -47.91 76.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.472 0.653 . . . . 0.0 109.404 178.437 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 21.6 t -52.57 -51.33 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.96 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -63.71 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.277 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.1 ttm . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.059 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.796 0.332 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -64.33 -55.03 23.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -59.5 -42.52 92.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.491 179.713 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.2 mmt -61.54 -47.5 85.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.822 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -64.83 -34.35 78.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.652 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.3 t -59.64 -55.61 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.594 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 14.0 mt -54.77 -43.27 72.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.027 0.441 . . . . 0.0 110.134 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -28.58 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.847 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.454 HG11 ' HB3' ' D' ' 108' ' ' ASP . 2.7 t -72.04 -39.03 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.841 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -64.14 -41.39 97.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.65 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -66.51 -39.68 88.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.844 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -54.23 17.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' CD2' HG13 ' D' ' 109' ' ' ILE . 59.9 mt -54.35 -55.39 28.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.894 0.378 . . . . 0.0 110.435 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -38.8 62.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.908 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.97 -41.98 98.11 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.053 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -64.43 -40.85 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 110.995 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 19.5 mt -61.65 -50.49 72.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.962 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.8 -27.88 69.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.304 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.57 -32.46 28.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.497 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.01 -34.42 29.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.273 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.24 -17.19 5.65 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.527 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.37 80.09 1.02 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.928 0.394 . . . . 0.0 110.061 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.15 22.47 3.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.736 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.7 m -102.38 -51.06 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.522 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.424 ' HG2' ' CD2' ' D' ' 95' ' ' HIS . 0.9 OUTLIER -70.52 -21.41 62.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.58 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -54.57 -42.8 71.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.756 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -32.77 66.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.175 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -72.75 -42.17 64.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.161 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.4 mt -66.05 -36.32 82.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.243 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.68 -32.18 60.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.743 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' D' ' 84' ' ' LEU . . . -70.83 -44.22 66.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.327 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.5 ' HB2' HD21 ' D' ' 84' ' ' LEU . 2.6 t80 -70.31 -47.36 61.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.401 0.62 . . . . 0.0 109.893 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CZ ' ' NZ ' ' A' ' 43' ' ' LYS . 24.0 t80 -53.72 -53.32 53.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.092 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -60.56 -52.06 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.756 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.0 m -54.54 -41.09 69.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.011 0.434 . . . . 0.0 110.427 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.402 ' HB3' ' CD2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -59.32 -37.38 77.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.188 179.442 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.458 ' NZ ' ' CZ ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -70.12 -28.82 65.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.648 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.0 t -45.65 130.32 6.57 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.289 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.83 -51.39 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.356 2.037 . . . . 0.0 112.45 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.48 ' HG ' ' N ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -58.55 -39.43 80.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.69 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.48 ' N ' ' HG ' ' A' ' 46' ' ' LEU . 12.1 t80 -62.49 -43.81 97.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.965 0.412 . . . . 0.0 109.943 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.88 -39.02 70.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.025 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -60.79 -42.86 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.038 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.416 HG12 ' CD2' ' C' ' 53' ' ' LEU . 2.7 mt -58.82 -51.56 70.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.71 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.459 ' HA ' ' HG2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -64.17 -36.31 83.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.174 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.7 m -61.63 -40.76 96.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.318 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.19 -51.79 66.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.524 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' A' ' 51' ' ' LEU . 3.9 pt20 -59.96 -32.04 70.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.055 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -61.62 -41.75 97.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.644 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.2 t -60.89 -42.54 98.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.361 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.4 ' CD1' ' CD1' ' C' ' 46' ' ' LEU . 3.7 mt -61.42 -35.12 64.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.829 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -60.69 -40.21 91.32 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.554 178.687 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -38.77 92.33 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.136 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.3 -47.78 78.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.596 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' CG ' ' HG3' ' B' ' 135' ' ' MET . 1.6 mppt? -68.74 -28.32 66.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.994 -179.762 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.771 0.319 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.434 ' CD1' ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -92.75 -171.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.083 0.468 . . . . 0.0 110.996 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.415 HD23 ' HB2' ' C' ' 38' ' ' PHE . 22.9 tp -134.82 -37.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.234 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.63 108.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.555 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' B' ' 90' ' ' PHE . 1.0 OUTLIER -51.29 -27.24 6.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.336 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.02 -42.83 94.04 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.101 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -34.67 39.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.759 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.51 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.16 -30.98 65.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.203 179.237 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.545 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 33.3 t80 -72.05 -49.86 33.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.739 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 31.0 t -61.73 -29.3 70.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.505 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' SER . . . . . 0.431 ' C ' HD13 ' B' ' 96' ' ' ILE . 14.0 t -63.57 -53.1 57.04 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.393 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' B' ' 96' ' ' ILE . 0.7 OUTLIER -56.89 -36.78 70.53 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.983 0.42 . . . . 0.0 109.889 179.588 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -59.76 -41.37 90.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.8 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.453 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.4 t60 -69.48 -52.71 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' B' ' 93' ' ' LEU . 10.6 mt -51.42 -40.46 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.889 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -50.36 71.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.908 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -81.94 -1.46 48.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.991 0.424 . . . . 0.0 110.583 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' THR . . . . . 0.404 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.4 m -100.3 -33.5 10.37 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.425 HD11 HD21 ' C' ' 19' ' ' LEU . 70.8 mt -90.24 -52.3 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.27 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.81 35.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.712 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.46 21.01 9.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.932 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.75 -70.79 0.1 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.711 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -32.53 72.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 0.0 109.865 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.412 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 2.9 m -70.25 -38.71 75.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.502 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.44 -34.44 78.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.116 0.484 . . . . 0.0 110.334 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.49 -39.96 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -70.4 -43.76 69.36 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.742 0.782 . . . . 0.0 108.9 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.457 HG13 ' CD2' ' C' ' 19' ' ' LEU . 5.5 mt -60.05 -49.36 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.643 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' SER . . . . . 0.408 ' HA ' ' CD1' ' B' ' 113' ' ' LEU . 1.2 m -56.37 -36.77 69.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.165 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.37 -51.42 69.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.245 179.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.24 -42.54 98.79 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' B' ' 117' ' ' GLN . 5.4 mt -56.57 -48.63 76.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.501 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -60.76 -46.39 90.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.482 ' O ' ' CG ' ' B' ' 121' ' ' PHE . 5.6 mp -57.65 -42.3 83.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.412 0.625 . . . . 0.0 109.719 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.442 ' CG1' HG22 ' B' ' 86' ' ' ILE . 63.4 t -64.76 -53.54 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.903 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' B' ' 113' ' ' LEU . 0.0 OUTLIER -63.61 -18.45 63.92 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.093 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -53.13 146.02 12.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.612 0.244 . . . . 0.0 110.742 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.22 -59.4 2.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.56 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -45.67 90.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.773 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.482 ' CG ' ' O ' ' B' ' 115' ' ' LEU . 10.0 t80 -55.87 -55.28 34.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.546 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.92 -39.34 39.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.677 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.46 -47.25 86.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.722 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.449 ' HA ' HD11 ' B' ' 127' ' ' ILE . . . -58.11 -41.26 83.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.428 ' CD1' HD11 ' B' ' 86' ' ' ILE . 3.7 t80 -68.2 -38.84 82.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.224 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -33.48 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.646 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.449 HD11 ' HA ' ' B' ' 124' ' ' ALA . 5.6 mt -71.78 -49.94 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.748 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.595 ' O ' ' HB ' ' B' ' 132' ' ' THR . 13.8 t-80 -64.27 -49.94 69.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.564 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.424 ' O ' ' CG2' ' B' ' 133' ' ' VAL . 50.2 t-20 -55.6 -59.96 4.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.945 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -52.12 67.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.648 0.261 . . . . 0.0 111.689 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . 0.422 HG13 ' O ' ' B' ' 127' ' ' ILE . 72.4 mt -58.62 -43.1 86.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.286 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.595 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -60.77 -44.09 97.2 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.293 0.568 . . . . 0.0 109.657 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' B' ' 129' ' ' ASN . 86.1 t -52.91 -51.17 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.124 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.81 -30.65 71.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.027 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' MET . . . . . 0.409 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 31.1 ttm -54.07 -52.39 61.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 10.9 p30 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.804 0.335 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.08 -51.19 49.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.4 OUTLIER -53.99 -41.44 67.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.736 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.2 tpt -61.19 -51.32 69.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.435 ' O ' HG22 ' C' ' 15' ' ' VAL . 21.4 tp60 -59.9 -36.37 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.462 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 84.4 t -57.85 -48.97 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.908 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' C' ' 9' ' ' LYS . 16.8 mt -57.74 -48.75 78.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.029 0.442 . . . . 0.0 110.194 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.64 -28.33 69.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.641 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.435 HG22 ' O ' ' C' ' 11' ' ' GLN . 2.5 t -72.9 -37.87 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.067 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 5.8 mt -64.23 -42.85 96.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.163 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.05 -37.49 75.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.549 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -68.29 -50.01 56.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 55.7 mt -56.72 -57.76 11.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.095 0.474 . . . . 0.0 110.759 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . 0.473 ' HB3' ' CD1' ' C' ' 35' ' ' LEU . 4.0 ppt_? -54.93 -33.55 62.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.806 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' C' ' 20' ' ' ARG . . . -63.57 -45.74 93.97 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.333 -0.937 . . . . 0.0 111.796 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -61.77 -36.39 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.679 0.276 . . . . 0.0 110.726 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.549 ' HB3' ' O ' ' C' ' 28' ' ' ASP . 11.0 mt -67.28 -50.18 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 110.482 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.47 -29.11 58.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.115 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -82.1 -31.41 30.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.416 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -80.72 -33.12 35.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.46 2.65 8.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.671 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . 0.549 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 6.2 m-20 -108.26 70.83 0.77 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.941 0.401 . . . . 0.0 110.367 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -89.74 11.71 19.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.126 0.489 . . . . 0.0 110.388 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 16.5 m -73.14 -33.56 65.58 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.969 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.453 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 1.2 mm-40 -83.3 -23.24 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.462 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.07 -48.82 22.38 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.491 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.78 -32.76 65.98 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.788 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -72.82 -47.47 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.718 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' C' ' 20' ' ' ARG . 1.8 mt -60.68 -29.99 69.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.255 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -77.05 -38.54 52.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.767 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.51 83.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.925 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.446 ' CD1' HD21 ' B' ' 89' ' ' LEU . 2.4 t80 -70.85 -42.12 70.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.178 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.441 ' CE1' ' HD3' ' C' ' 43' ' ' LYS . 15.8 t80 -65.5 -51.81 57.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.292 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.77 -45.02 86.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.131 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' THR . . . . . 0.438 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 85.2 m -57.99 -47.62 82.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.759 0.314 . . . . 0.0 110.676 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.4 ' CB ' HD23 ' C' ' 13' ' ' LEU . 6.1 mt -58.33 -32.95 68.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.08 0.467 . . . . 0.0 110.485 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.441 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 12.3 mtpt -79.5 -35.6 39.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.563 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -45.67 139.52 4.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.308 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.55 -41.34 8.75 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.453 2.102 . . . . 0.0 112.087 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.4 ' CD1' ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -60.75 -55.17 36.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.102 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.438 ' CD2' ' CG2' ' C' ' 41' ' ' THR . 10.2 t80 -58.57 -42.83 88.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.19 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -55.83 -38.32 69.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.434 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.18 -41.89 99.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.123 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mt -60.22 -48.73 86.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.874 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.48 ' HA ' ' HG2' ' C' ' 54' ' ' GLN . 0.3 OUTLIER -61.27 -36.58 80.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.315 179.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 30.5 m -59.59 -42.58 92.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.428 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . 0.416 ' CD2' HG12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -60.45 -51.9 67.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.399 179.598 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' C' ' 51' ' ' LEU . 3.5 pt20 -62.13 -31.0 71.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -59.65 -40.92 89.3 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -47.56 82.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.503 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.447 ' CD1' ' CD1' ' A' ' 46' ' ' LEU . 34.5 mt -60.47 -34.89 59.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.9 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -59.84 -41.76 92.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.859 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -40.92 97.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.983 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -55.58 -45.9 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.414 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.43 ' CD1' ' CG2' ' D' ' 132' ' ' THR . 0.6 OUTLIER . . . . . 0 CA--C 1.52 -0.204 0 CA-C-O 120.943 0.401 . . . . 0.0 110.623 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 38' ' ' PHE . 58.9 tp -117.59 -38.37 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.327 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.96 102.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.109 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.514 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 0.6 OUTLIER -49.52 -25.87 2.11 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.523 -179.155 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.05 -46.3 88.17 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.337 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.43 -34.96 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.046 0.45 . . . . 0.0 109.853 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' D' ' 93' ' ' LEU . 0.1 OUTLIER -72.12 -29.25 63.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.27 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 9.1 t80 -72.38 -50.27 27.84 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.122 0.487 . . . . 0.0 109.745 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 68.4 m -62.95 -28.06 69.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.431 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 92' ' ' SER . . . . . 0.424 ' C ' HD12 ' D' ' 96' ' ' ILE . 4.1 t -64.03 -52.97 56.95 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.386 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.8 OUTLIER -56.87 -37.62 71.59 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -59.43 -40.55 87.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.692 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . 0.424 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 1.5 t60 -69.68 -53.28 19.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' D' ' 93' ' ' LEU . 10.3 mt -51.87 -38.48 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.885 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -51.53 67.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.935 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -81.63 -2.95 52.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.446 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 99' ' ' THR . . . . . 0.412 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.9 m -99.09 -32.21 11.37 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.443 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.421 ' CD1' HD23 ' A' ' 19' ' ' LEU . 15.5 mt -89.95 -53.78 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.241 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.6 35.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.665 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' D' ' 104' ' ' GLN . 7.3 m-20 -96.99 23.51 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.722 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 31.8 t 65.97 -71.47 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.783 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' D' ' 102' ' ' ASP . 2.9 mm100 -60.63 -30.77 70.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.144 0.497 . . . . 0.0 109.91 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.429 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 0.5 OUTLIER -70.73 -39.87 73.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.554 179.529 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.82 -38.33 90.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.003 0.43 . . . . 0.0 110.519 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.69 -39.8 80.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . 0.454 ' HB3' HG11 ' A' ' 15' ' ' VAL . 28.8 m-20 -70.49 -42.95 70.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.444 HG13 ' CD2' ' A' ' 19' ' ' LEU . 4.7 mt -59.95 -49.63 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.645 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.24 -35.16 69.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.082 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -51.35 69.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.032 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . 0.438 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.3 mt -63.21 -42.67 99.32 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' D' ' 117' ' ' GLN . 6.0 mt -56.15 -42.33 76.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.621 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -62.25 -52.21 64.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.785 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.44 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 1.9 mp -58.98 -48.71 80.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.246 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.443 ' CG1' HG23 ' D' ' 86' ' ' ILE . 62.7 t -57.12 -41.42 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.531 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.452 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 55.3 mt-30 -82.93 -11.04 58.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.5 128.38 36.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.735 0.303 . . . . 0.0 110.482 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -52.31 -58.99 4.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.499 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.71 -50.32 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 111.055 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.6 t80 -55.81 -52.77 62.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -54.65 -31.25 57.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.066 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.586 ' O ' HG13 ' D' ' 127' ' ' ILE . 22.5 m120 -67.55 -52.43 38.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.19 -49.24 77.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.489 ' CZ ' HD22 ' D' ' 84' ' ' LEU . 4.6 t80 -56.18 -40.41 73.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -34.19 76.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.207 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.586 HG13 ' O ' ' D' ' 123' ' ' ASN . 5.7 mt -63.21 -49.61 82.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.438 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.791 ' O ' ' HB ' ' D' ' 132' ' ' THR . 38.1 t-80 -65.36 -41.25 94.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.015 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . 0.41 ' O ' ' CG2' ' D' ' 133' ' ' VAL . 27.2 m-20 -55.05 -60.73 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.21 -51.91 58.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.539 0.209 . . . . 0.0 111.506 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . 0.444 HD11 HG22 ' D' ' 131' ' ' ILE . 69.5 mt -56.19 -40.12 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.16 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.791 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -61.46 -43.1 99.46 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.837 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.41 ' CG2' ' O ' ' D' ' 129' ' ' ASN . 47.0 t -52.88 -47.72 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.463 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -63.1 -32.87 74.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.034 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.603 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.851 0.358 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.21 -57.07 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.721 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -61.49 -42.86 99.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.544 179.675 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -41.52 97.51 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 31.0 tp60 -67.21 -35.67 80.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -60.17 -47.89 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.438 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 42' ' ' LEU . 13.5 mt -62.69 -44.63 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -63.71 -29.4 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.239 178.142 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.406 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 2.4 t -71.64 -35.81 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.293 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.445 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 27.0 mt -64.13 -40.43 96.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.056 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.432 ' OD2' ' HA ' ' A' ' 14' ' ' GLN . 5.7 p30 -76.29 -28.05 56.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.43 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -73.84 -54.66 7.49 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.987 0.422 . . . . 0.0 110.418 179.634 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 89.5 mt -56.59 -49.27 75.4 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.02 -48.33 61.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.836 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.29 -44.94 65.31 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.876 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' D' ' 100' ' ' LEU . 0.3 OUTLIER -63.38 -36.3 83.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.511 0.196 . . . . 0.0 111.173 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 31.4 mt -65.66 -50.5 64.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.014 0.435 . . . . 0.0 110.581 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -60.05 -26.88 66.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.22 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.59 -32.9 28.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.64 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -32.14 30.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.398 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.82 19.24 5.34 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 120.571 -0.824 . . . . 0.0 112.627 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -110.07 77.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.019 0.438 . . . . 0.0 109.953 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.25 9.03 30.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.307 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.3 m -82.51 -54.72 4.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.31 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.428 ' HG2' ' CD2' ' D' ' 95' ' ' HIS . 1.2 mp0 -63.81 -18.93 64.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.034 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -46.66 -46.49 19.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.73 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.55 -36.0 68.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.146 0.498 . . . . 0.0 109.721 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' H ' ' HG2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -61.25 -44.38 97.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.688 178.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 2.5 mt -70.78 -34.81 72.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.733 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -72.13 -34.96 68.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.124 0.487 . . . . 0.0 109.937 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.98 -40.76 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.219 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.436 ' HB2' HD23 ' D' ' 84' ' ' LEU . 2.4 t80 -70.54 -51.09 31.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.357 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.91 -51.1 67.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.286 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.54 -52.31 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.238 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.419 HG23 ' CD2' ' A' ' 47' ' ' PHE . 95.1 m -59.05 -48.53 81.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.52 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.66 -34.21 61.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.893 179.484 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -77.78 -34.81 52.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.611 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.07 134.46 6.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.327 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.72 -40.4 9.99 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.492 2.128 . . . . 0.0 112.203 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -55.04 39.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.352 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.445 ' CE1' ' HA ' ' D' ' 125' ' ' PHE . 12.3 t80 -58.09 -40.58 81.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.389 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -57.6 -41.16 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.495 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.19 -42.44 98.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.267 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.3 mt -56.78 -46.09 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.868 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD22 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -65.03 -36.19 83.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.235 179.679 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.8 m -53.92 -50.82 65.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.988 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -44.87 92.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.788 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -34.29 73.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.169 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -40.54 97.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.097 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 t -60.71 -45.84 92.68 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.673 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 5.7 mt -62.09 -34.78 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.887 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -42.82 84.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.78 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.58 -39.63 94.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.251 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 57' ' ' ILE . 1.5 mt -53.01 -47.26 68.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.662 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -63.06 -49.93 72.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.853 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.592 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' B' ' 84' ' ' LEU . 0.0 OUTLIER -109.17 -103.21 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 119.601 -0.238 . . . . 0.0 111.25 -179.744 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' B' ' 83' ' ' ILE . 11.0 tp 159.49 -41.84 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.46 112.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.383 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.553 HG13 HD21 ' B' ' 89' ' ' LEU . 1.1 mt -57.22 -29.53 32.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.765 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.91 -47.69 83.81 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.246 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -35.87 57.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.952 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.553 HD21 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -71.98 -28.6 63.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.563 179.564 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.42 -50.02 29.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -63.17 -28.47 70.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.517 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 57.7 m -64.36 -51.33 63.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.748 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 89' ' ' LEU . 0.7 OUTLIER -59.29 -38.35 79.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -59.78 -38.54 82.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.288 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.0 OUTLIER -72.04 -49.54 35.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.312 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.446 HD11 ' HA ' ' B' ' 93' ' ' LEU . 12.0 mt -53.64 -44.1 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.735 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.448 ' HB3' ' CG2' ' B' ' 109' ' ' ILE . 3.5 pt20 -62.2 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.746 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.409 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -85.38 -0.8 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.554 179.129 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.3 m -102.2 -34.2 9.35 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 76.8 mt -82.8 -50.18 8.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.457 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 45.06 52.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.232 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.5 OUTLIER -120.47 20.87 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.119 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 73.4 m 63.17 -75.7 0.03 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.821 0.343 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -54.86 -29.25 54.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.176 0.512 . . . . 0.0 109.958 179.198 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.427 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 2.4 m -67.7 -43.27 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.212 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.17 -35.7 75.92 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.119 0.485 . . . . 0.0 110.487 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.66 -42.55 77.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.242 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.414 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 18.8 m-20 -70.44 -44.89 66.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.732 0.777 . . . . 0.0 108.97 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' B' ' 97' ' ' GLN . 3.9 mt -58.44 -48.86 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.393 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 66.6 m -57.14 -34.84 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.149 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -51.39 69.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.847 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.08 -42.27 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.362 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 6.2 mt -56.82 -40.53 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.7 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -61.68 -52.34 64.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.558 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 0.9 OUTLIER -60.11 -49.56 77.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.19 179.4 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.427 ' CG1' HG23 ' B' ' 86' ' ' ILE . 48.8 t -58.4 -37.28 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.547 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.421 ' NE2' ' CE1' ' B' ' 90' ' ' PHE . 74.4 mt-30 -87.75 -8.57 55.85 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -61.21 150.67 33.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.717 0.294 . . . . 0.0 110.374 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -72.08 -58.94 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.513 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.78 -46.31 90.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.0 t80 -55.94 -49.92 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.589 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 8.1 mt-30 -54.28 -44.29 71.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -59.51 -47.36 85.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 110.98 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.431 ' HA ' ' CD1' ' B' ' 127' ' ' ILE . . . -58.17 -40.27 81.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.741 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.492 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 4.6 t80 -66.07 -38.49 88.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.828 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 18.0 mmtt -61.77 -37.09 83.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.317 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.491 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 10.4 mt -64.68 -49.87 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.272 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.721 ' O ' ' HB ' ' B' ' 132' ' ' THR . 20.6 t-80 -67.11 -27.76 67.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.717 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.432 ' HA ' ' CG2' ' B' ' 83' ' ' ILE . 3.8 t30 -66.23 -60.62 2.61 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.53 -49.93 61.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . 0.407 ' CG2' ' CG2' ' A' ' 57' ' ' ILE . 51.3 mt -53.94 -48.35 63.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 121.199 -0.2 . . . . 0.0 111.156 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.721 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.8 OUTLIER -56.87 -53.94 52.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.385 0.612 . . . . 0.0 109.768 179.072 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' B' ' 129' ' ' ASN . 59.0 t -53.26 -45.18 55.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.617 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -33.76 76.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.969 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.9 ttm -66.22 -38.25 87.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.515 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.875 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.83 0.348 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.09 -57.7 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.424 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -51.95 -41.67 62.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.939 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -51.7 67.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.412 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 25.7 tp60 -59.53 -36.01 75.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.484 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 70.2 t -58.38 -45.24 89.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.554 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.458 ' HB3' ' CZ ' ' C' ' 39' ' ' TYR . 12.8 mt -59.46 -49.66 76.95 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.894 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -63.32 -28.46 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.54 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.414 ' CG1' ' HB3' ' B' ' 108' ' ' ASP . 2.9 t -73.01 -38.25 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.926 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.425 ' HB2' ' CD2' ' C' ' 39' ' ' TYR . 9.8 mt -64.12 -39.12 93.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.899 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -71.42 -39.36 71.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.708 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -67.25 -54.24 22.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.818 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 73.3 mt -53.29 -57.45 10.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -37.26 53.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.848 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.73 -46.67 93.09 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.276 -0.964 . . . . 0.0 111.878 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -65.45 -32.57 74.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.81 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 47.7 mt -66.96 -50.18 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.367 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -26.73 68.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.03 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.6 -33.1 28.09 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.63 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 -31.28 41.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.406 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.82 23.94 4.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.436 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -119.16 82.95 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.94 0.4 . . . . 0.0 110.167 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.57 18.45 11.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.127 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 15.5 m -84.6 -38.68 19.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.445 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 0.7 OUTLIER -87.51 -16.66 34.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.622 179.523 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -47.87 -53.24 16.31 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -32.91 65.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.442 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -66.08 -40.03 90.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.982 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' C' ' 39' ' ' TYR . 2.3 mt -70.26 -38.47 75.13 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.432 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -70.47 -33.53 71.37 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.37 -45.83 58.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.162 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.461 ' CA ' HD21 ' B' ' 84' ' ' LEU . 4.6 t80 -68.14 -42.89 79.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.273 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' C' ' 35' ' ' LEU . 0.7 OUTLIER -56.82 -53.48 57.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.993 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.32 -46.46 86.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.282 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' THR . . . . . 0.451 ' CG2' ' CD1' ' C' ' 47' ' ' PHE . 93.3 m -56.59 -37.83 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.052 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mt -74.31 -27.49 60.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.717 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -81.57 -36.94 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.63 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -47.64 135.5 10.33 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.325 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.27 -37.15 25.33 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.402 2.068 . . . . 0.0 111.944 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.402 ' CD1' ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -61.98 -50.27 72.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.077 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.451 ' CD1' ' CG2' ' C' ' 41' ' ' THR . 25.5 t80 -57.5 -45.92 84.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.616 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -55.6 -38.28 69.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.03 -42.27 99.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.296 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 28.9 mt -59.97 -47.33 92.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.951 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.428 HD22 ' CE2' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.72 -35.79 80.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.401 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 94.5 m -54.03 -50.83 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.125 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.81 -45.68 93.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.832 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -34.63 73.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.189 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.23 -39.4 93.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.08 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 7.8 t -60.92 -45.25 95.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.826 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 6.0 mt -60.32 -34.95 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.103 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -41.85 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.816 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.64 -39.72 92.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.083 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -53.14 60.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.661 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.033 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' D' ' 132' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.939 0.399 . . . . 0.0 110.973 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.448 HD21 HD23 ' D' ' 89' ' ' LEU . 25.0 tp -154.77 -36.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.47 105.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.628 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' D' ' 90' ' ' PHE . 0.6 OUTLIER -49.66 -25.59 2.13 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.528 -179.532 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.17 -47.0 84.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.424 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.87 -34.96 57.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.974 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.475 HD21 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.56 -30.57 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.543 179.383 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' D' ' 86' ' ' ILE . 12.6 t80 -71.97 -47.07 54.85 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.669 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -32.04 73.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.346 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 92' ' ' SER . . . . . 0.461 ' OG ' HD13 ' D' ' 96' ' ' ILE . 2.3 t -61.72 -52.2 65.24 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.847 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.5 OUTLIER -59.5 -35.3 73.87 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.972 0.415 . . . . 0.0 109.969 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -59.38 -43.16 92.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.656 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . 0.428 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 1.4 t60 -67.39 -53.13 31.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.461 HD13 ' OG ' ' D' ' 92' ' ' SER . 11.5 mt -50.88 -41.53 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.043 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.65 -51.26 70.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.052 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -0.75 45.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.535 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 99' ' ' THR . . . . . 0.407 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.4 m -101.13 -32.8 10.39 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.709 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.405 ' CD2' ' HB3' ' A' ' 22' ' ' LYS . 45.1 mt -88.27 -54.77 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.04 39.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.694 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.3 OUTLIER -101.31 22.3 12.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.783 179.604 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 47.7 m 65.28 -72.36 0.07 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.703 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -60.27 -31.13 69.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.151 0.5 . . . . 0.0 109.802 179.217 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 0.8 OUTLIER -70.08 -39.76 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.583 179.468 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.19 -37.09 85.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.062 0.458 . . . . 0.0 110.337 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.54 -41.33 79.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.737 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -70.56 -43.14 70.11 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.453 HG13 ' CD2' ' A' ' 19' ' ' LEU . 4.6 mt -59.09 -49.58 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.446 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 45.1 t -57.7 -33.61 68.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.853 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.93 -51.09 70.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.824 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.54 -43.04 98.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.378 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.99 -41.13 77.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.754 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.81 -51.22 69.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.986 0.422 . . . . 0.0 110.52 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.453 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 1.4 mp -59.92 -50.05 75.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.936 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.428 ' CG1' HG22 ' D' ' 86' ' ' ILE . 47.8 t -58.3 -41.33 80.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.363 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -83.75 -6.95 59.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.857 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -65.24 136.52 56.72 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.872 0.368 . . . . 0.0 110.449 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -58.34 8.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.433 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' D' ' 120' ' ' ASP . 1.1 m-20 -60.72 -50.3 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.113 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.453 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 7.7 t80 -55.72 -43.31 76.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.65 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -57.72 -46.63 84.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.033 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -59.87 -46.07 90.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . 0.419 ' HA ' ' CD1' ' D' ' 127' ' ' ILE . . . -56.8 -48.37 78.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.464 ' HB3' ' CD1' ' D' ' 86' ' ' ILE . 2.7 t80 -60.09 -36.7 77.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -64.17 -36.35 83.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.651 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.491 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 10.0 mt -65.44 -49.75 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.119 0.485 . . . . 0.0 110.647 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.689 ' O ' ' HB ' ' D' ' 132' ' ' THR . 8.8 t-80 -67.3 -32.51 73.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.965 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' D' ' 125' ' ' PHE . 17.0 m-20 -63.89 -60.8 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.9 -52.1 47.29 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . 0.423 HD11 HG21 ' D' ' 131' ' ' ILE . 53.5 mt -53.54 -36.51 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.691 0.281 . . . . 0.0 110.548 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.689 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -63.18 -50.11 71.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.532 0.682 . . . . 0.0 109.167 178.287 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.421 ' N ' HG23 ' D' ' 132' ' ' THR . 16.7 t -52.82 -51.2 38.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.801 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -30.89 71.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.243 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 28.4 ttm . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.929 179.858 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.79 0.329 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.82 -57.57 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -57.26 -43.38 83.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.74 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.42 -47.05 87.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.007 0.432 . . . . 0.0 110.004 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.405 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 28.1 tp60 -64.41 -34.71 78.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.507 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -59.68 -49.02 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.56 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 13.1 mt -59.43 -42.85 92.83 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -28.49 68.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.397 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.405 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 3.5 t -74.12 -38.05 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.7 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.6 mt -64.17 -37.99 89.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.88 -45.58 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -61.2 -54.24 46.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.05 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 85.4 mt -53.39 -57.28 11.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.932 0.396 . . . . 0.0 110.47 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.9 -34.97 21.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.203 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.1 -48.28 76.87 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.13 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HB3' ' CD2' ' D' ' 100' ' ' LEU . 1.9 mttp -60.15 -36.05 76.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.583 0.23 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 20.0 mt -64.59 -50.11 68.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.966 0.412 . . . . 0.0 110.498 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.5 -28.31 65.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.201 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.43 -32.49 28.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -83.15 -30.6 27.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.333 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.8 22.67 5.28 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.525 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 20.2 m-20 -113.11 78.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.987 0.422 . . . . 0.0 110.045 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.92 15.98 13.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.3 m -85.24 -40.51 16.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.426 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.497 ' HG3' ' CD2' ' D' ' 95' ' ' HIS . 0.7 OUTLIER -81.64 -24.52 36.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.424 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -48.36 -43.54 33.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.759 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.69 -32.97 69.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.084 0.468 . . . . 0.0 109.919 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HA ' ' CD1' ' D' ' 84' ' ' LEU . 25.5 mmmt -72.05 -39.48 69.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.256 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 2.0 mt -68.37 -31.26 70.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.508 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.32 -34.57 63.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.139 0.495 . . . . 0.0 109.845 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' D' ' 84' ' ' LEU . . . -75.19 -49.05 20.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.52 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -61.11 -46.5 90.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.135 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.486 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 1.3 t80 -57.39 -53.45 57.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.932 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.82 -52.3 64.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.172 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.8 m -55.89 -32.77 64.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.922 0.392 . . . . 0.0 110.601 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.413 ' HB3' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -68.21 -37.22 80.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.115 179.237 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -77.58 -30.72 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.529 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.8 m -39.53 127.47 1.43 Allowed Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.633 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.26 -55.71 2.04 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.547 2.165 . . . . 0.0 112.358 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.415 ' CD1' ' CG1' ' C' ' 57' ' ' ILE . 1.3 tp -58.05 -46.15 85.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CE2' HD22 ' A' ' 51' ' ' LEU . 46.1 t80 -58.99 -47.63 84.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.388 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -55.92 -33.2 64.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -65.94 -41.92 90.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.236 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.4 mt -59.58 -47.86 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.395 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD22 ' CE2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -65.2 -37.68 88.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.119 179.381 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -53.65 -48.29 69.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.91 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -45.0 90.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.423 178.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.402 ' NE2' ' N ' ' D' ' 124' ' ' ALA . 4.1 mm-40 -60.53 -35.62 76.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.123 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -59.75 -42.34 93.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.076 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -46.34 90.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.806 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.46 HG12 ' CD1' ' C' ' 46' ' ' LEU . 14.0 mt -61.84 -34.77 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.04 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -39.72 86.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.775 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -40.58 95.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.106 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.84 -54.53 33.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.589 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.59 -38.89 82.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.592 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.757 0.313 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.512 ' CD1' ' CG2' ' B' ' 133' ' ' VAL . 0.2 OUTLIER -93.67 -172.77 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.031 0.443 . . . . 0.0 111.304 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 0.7 OUTLIER -177.55 62.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.298 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -37.72 122.72 0.98 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.737 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.478 HG13 HD22 ' B' ' 89' ' ' LEU . 0.8 OUTLIER -49.65 -24.84 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.88 -179.056 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.08 -48.26 81.0 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.656 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.5 -33.98 54.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.078 0.466 . . . . 0.0 109.995 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.478 HD22 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.15 -29.92 64.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.375 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' B' ' 86' ' ' ILE . 14.5 t80 -72.55 -50.3 26.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.044 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 2.1 m -61.78 -29.52 70.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.555 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 55.7 m -63.07 -53.2 57.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.447 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.481 ' N ' HD23 ' B' ' 93' ' ' LEU . 0.7 OUTLIER -57.18 -36.57 70.98 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -59.6 -40.98 89.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.843 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.42 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 0.6 OUTLIER -69.33 -49.57 54.54 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.338 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.406 ' HA ' ' HB ' ' B' ' 99' ' ' THR . 13.3 mt -52.39 -45.19 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.101 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.442 ' HG3' HG22 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -58.97 -49.67 76.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.508 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.2 m170 -80.59 -3.75 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.493 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' THR . . . . . 0.406 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.4 m -97.08 -33.3 11.57 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.454 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 35.1 mt -87.21 -48.54 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.122 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.15 41.13 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.608 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.4 OUTLIER -105.71 19.92 19.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.848 179.6 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.3 -72.86 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.726 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' B' ' 105' ' ' SER . 0.0 OUTLIER -58.53 -27.44 64.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.094 0.473 . . . . 0.0 109.907 179.288 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.427 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 0.5 OUTLIER -69.57 -44.35 71.02 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.078 179.259 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -32.88 72.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.048 0.451 . . . . 0.0 110.107 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.71 -42.47 73.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.798 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.439 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 1.7 m-20 -70.51 -43.46 69.59 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.442 HG22 ' HG3' ' B' ' 97' ' ' GLN . 4.0 mt -59.58 -48.65 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.315 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -56.11 -35.21 66.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.82 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.71 -51.29 69.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.674 178.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.06 -41.96 99.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.354 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 5.0 mt -57.96 -40.02 79.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.573 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.28 -52.04 66.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 0.9 OUTLIER -61.17 -48.08 83.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.414 0.626 . . . . 0.0 110.071 179.135 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.442 ' CG1' HG12 ' B' ' 86' ' ' ILE . 93.7 t -60.24 -36.41 68.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.539 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 42.2 mt-30 -88.06 -9.2 54.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.14 150.7 20.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.687 0.279 . . . . 0.0 110.6 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -59.13 2.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.245 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -61.02 -46.54 90.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.3 t80 -55.94 -52.46 64.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.558 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -53.35 -38.76 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.798 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . 0.53 ' O ' HG13 ' B' ' 127' ' ' ILE . 11.5 m120 -62.19 -51.93 65.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.93 -49.04 76.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.374 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.46 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 15.0 t80 -56.27 -42.0 76.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.463 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' B' ' 126' ' ' LYS . 0.5 OUTLIER -63.23 -37.71 88.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.651 -179.759 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 123' ' ' ASN . 45.0 mt -59.23 -50.01 81.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.431 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.754 ' O ' ' HB ' ' B' ' 132' ' ' THR . 25.0 t-80 -62.8 -34.76 77.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.325 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.23 -60.76 2.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.612 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.33 -48.54 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.695 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . 0.403 HD12 HG23 ' B' ' 131' ' ' ILE . 43.9 mt -55.87 -42.05 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.106 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.754 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.6 OUTLIER -61.68 -50.12 73.74 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.512 ' CG2' ' CD1' ' B' ' 83' ' ' ILE . 49.7 t -55.61 -42.62 69.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.645 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.19 -31.06 72.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.176 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.6 ttm -66.68 -48.36 69.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.718 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 42.7 t30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.908 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.775 0.321 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.0 -56.93 14.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.761 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -57.95 -41.32 82.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.625 179.71 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -53.09 60.76 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.409 ' O ' ' CG2' ' C' ' 15' ' ' VAL . 23.0 tp60 -57.61 -38.8 75.56 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 37.8 t -54.91 -54.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.883 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' C' ' 42' ' ' LEU . 13.3 mt -55.07 -41.53 71.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.09 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -28.33 66.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.552 178.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.439 ' CG1' ' HB3' ' B' ' 108' ' ' ASP . 79.1 t -72.65 -38.07 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.861 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.33 -43.36 94.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.622 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -68.71 -44.47 73.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.98 -54.65 44.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.96 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.499 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 92.0 mt -52.98 -56.93 12.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.31 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -48.57 -38.39 20.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.034 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.69 -50.43 67.82 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.237 -0.982 . . . . 0.0 111.825 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -59.76 -34.56 73.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.721 0.296 . . . . 0.0 111.05 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 18.8 mt -68.15 -49.99 57.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 110.626 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -28.07 63.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.334 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -82.74 -37.44 24.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.18 0.514 . . . . 0.0 110.221 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -74.45 -30.29 61.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.274 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.13 23.16 5.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.367 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -116.25 79.45 1.31 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.994 0.426 . . . . 0.0 110.178 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.39 8.37 33.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.27 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 95.8 m -74.47 -42.18 59.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.47 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.42 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 1.9 mm-40 -78.02 -24.92 47.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -44.4 -51.38 8.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.92 -32.64 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.395 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.421 ' HA ' ' CD1' ' B' ' 84' ' ' LEU . 2.0 mmmm -72.92 -39.73 66.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.0 -30.69 68.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.786 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -31.35 55.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.969 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.44 -47.83 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.493 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.426 ' CD1' HD21 ' B' ' 89' ' ' LEU . 3.3 t80 -65.44 -36.63 84.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.338 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.446 ' CE1' ' HD3' ' C' ' 43' ' ' LYS . 61.0 t80 -67.3 -52.99 33.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.324 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -52.34 66.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.336 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' THR . . . . . 0.441 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 97.1 m -56.81 -39.36 74.01 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.846 0.355 . . . . 0.0 110.582 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.451 ' HB3' HD21 ' C' ' 13' ' ' LEU . 0.3 OUTLIER -60.76 -36.41 78.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.24 179.212 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.446 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 18.6 mtpt -79.1 -32.72 44.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.602 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.8 134.29 4.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.319 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.45 -42.89 8.91 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.385 2.057 . . . . 0.0 112.12 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -59.98 -55.17 37.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.182 179.562 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.461 ' CE1' ' CD2' ' C' ' 51' ' ' LEU . 26.1 t80 -58.77 -45.21 90.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.453 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -56.49 -35.2 67.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.573 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -65.71 -41.96 91.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.279 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 8.4 mt -59.16 -45.5 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.873 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.461 ' CD2' ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -68.4 -35.75 78.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.461 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -53.92 -47.32 71.31 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -47.67 84.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.623 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -31.95 69.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.733 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -65.05 -38.3 90.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.916 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -60.65 -50.09 74.89 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.892 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.415 ' CG1' ' CD1' ' A' ' 46' ' ' LEU . 63.5 mt -59.96 -36.65 68.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.857 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -59.91 -36.71 77.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.96 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -66.39 -40.61 89.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.951 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.47 -50.41 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.516 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.889 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.419 ' CD1' HG22 ' D' ' 132' ' ' THR . 1.5 mm . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.038 0.447 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.6 tp -146.78 53.41 1.1 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.5 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.87 126.48 2.49 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.445 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' D' ' 90' ' ' PHE . 0.7 OUTLIER -49.3 -25.01 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.823 -178.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -42.73 97.62 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.372 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.94 -39.13 35.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.24 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.38 -28.83 63.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.545 179.61 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.53 ' CB ' ' O ' ' D' ' 86' ' ' ILE . 1.5 t80 -72.48 -47.14 51.07 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -64.11 -28.45 69.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.664 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 92' ' ' SER . . . . . 0.419 ' HA ' ' OE1' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -65.84 -49.21 68.99 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.621 179.613 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.7 OUTLIER -60.18 -39.18 85.57 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 120.975 0.417 . . . . 0.0 110.111 179.768 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -40.58 89.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.116 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . 0.497 ' CD2' ' HG3' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -69.51 -48.98 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.293 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' D' ' 93' ' ' LEU . 20.6 mt -51.87 -47.88 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.06 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . 0.441 ' HG3' ' CG2' ' D' ' 109' ' ' ILE . 0.9 OUTLIER -57.48 -49.55 75.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.222 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -81.39 -1.09 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.025 0.441 . . . . 0.0 110.646 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 99' ' ' THR . . . . . 0.426 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.4 m -99.82 -32.79 10.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.489 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.415 HD12 HD21 ' A' ' 19' ' ' LEU . 57.1 mt -89.31 -47.57 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.364 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.89 41.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.59 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' D' ' 104' ' ' GLN . 1.1 m-20 -104.43 18.03 22.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.988 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.6 -72.1 0.08 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.767 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -57.25 -33.06 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.178 0.513 . . . . 0.0 110.014 179.461 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.426 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 85.0 p -68.01 -42.14 81.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.533 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . 0.405 ' HA ' HD11 ' D' ' 109' ' ' ILE . 0.2 OUTLIER -60.12 -35.84 76.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.033 0.444 . . . . 0.0 110.457 179.591 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.08 -41.57 77.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.724 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -70.54 -42.33 71.32 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.446 HD13 HG23 ' D' ' 96' ' ' ILE . 4.1 mt -59.74 -49.07 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.332 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 8.4 t -56.41 -34.85 67.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.823 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -51.32 69.39 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.781 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.63 -41.82 98.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.352 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . . . . . . . . . 4.2 mt -57.5 -40.65 79.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.673 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.91 -52.18 65.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.461 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.441 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 1.3 mp -59.95 -51.07 71.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.124 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.427 ' CG1' HG12 ' D' ' 86' ' ' ILE . 61.0 t -57.08 -33.66 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.376 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -94.47 -4.21 48.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.777 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.64 128.61 36.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.699 0.285 . . . . 0.0 110.428 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -50.12 -58.74 4.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.599 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.09 -49.14 78.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 10.3 t80 -55.78 -49.59 72.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.79 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . 0.415 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 1.9 mt-30 -55.64 -37.81 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.489 ' HB3' HG12 ' B' ' 127' ' ' ILE . 6.4 m-20 -60.56 -51.06 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.709 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . 0.441 ' HA ' ' CD1' ' D' ' 127' ' ' ILE . . . -57.2 -42.84 82.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.096 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.45 ' CG ' ' CD1' ' D' ' 86' ' ' ILE . 4.3 t80 -65.11 -38.88 92.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.44 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 17.4 mmtt -62.86 -35.53 80.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.472 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 7.9 mt -66.37 -49.89 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.654 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.2 t-80 -67.62 -38.81 84.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.788 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . 0.4 ' O ' ' CG2' ' D' ' 133' ' ' VAL . 1.3 t30 -56.02 -60.8 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.969 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.13 41.06 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . 0.429 HD11 HG21 ' D' ' 131' ' ' ILE . 65.8 mt -53.69 -35.74 27.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.349 . . . . 0.0 110.516 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.654 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.9 OUTLIER -63.81 -53.18 54.8 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.163 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.404 ' N ' HG22 ' D' ' 132' ' ' THR . 21.8 t -52.97 -47.07 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.348 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.805 0.336 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.23 -47.96 72.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.726 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.95 -44.75 96.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.515 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -48.59 79.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.072 0.463 . . . . 0.0 109.775 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -63.09 -33.79 76.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.859 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 t -58.89 -56.69 15.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.564 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.435 ' CD1' ' HE2' ' A' ' 43' ' ' LYS . 19.1 mt -54.63 -42.09 70.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.438 . . . . 0.0 110.341 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -28.24 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.877 178.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' D' ' 108' ' ' ASP . 25.5 t -75.19 -37.84 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.096 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.59 -40.91 96.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.819 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -41.15 71.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.723 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -54.31 28.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 58.0 mt -54.37 -57.48 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.6 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -53.17 -33.78 54.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.718 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.97 -49.25 80.7 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.796 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -35.91 79.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 110.653 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 39.1 mt -63.09 -50.44 70.52 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.723 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -32.13 64.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.73 -26.24 32.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.237 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' CE ' ' HA ' ' D' ' 100' ' ' LEU . 11.6 mttm -79.28 -38.13 36.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.64 -7.67 11.13 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.567 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -94.35 86.66 4.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 110.254 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.55 15.15 13.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.849 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.6 m -78.2 -56.26 4.61 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.623 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.401 ' NE2' ' CD2' ' D' ' 95' ' ' HIS . 2.8 mp0 -72.78 -20.75 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -50.79 -47.61 59.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -32.12 65.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.187 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -67.26 -45.96 75.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.252 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.428 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.4 mt -59.67 -32.0 70.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 t -76.48 -32.74 58.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.785 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.405 ' HB3' ' CD1' ' D' ' 84' ' ' LEU . . . -70.95 -46.37 62.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.495 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.445 ' HB2' ' CD2' ' D' ' 84' ' ' LEU . 3.1 t80 -68.79 -49.2 60.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.218 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.529 ' CZ ' ' HE3' ' A' ' 43' ' ' LYS . 44.4 t80 -54.66 -54.51 40.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.339 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.02 -52.23 65.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.7 m -54.86 -31.6 59.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.534 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.408 ' HB3' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -68.52 -34.98 76.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.4 179.472 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.529 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -70.73 -32.2 69.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.71 126.0 6.51 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.304 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.35 -32.39 72.31 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.469 2.113 . . . . 0.0 112.143 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -55.06 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.449 ' CE1' ' HA ' ' D' ' 125' ' ' PHE . 9.8 t80 -58.22 -43.4 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -57.73 -36.93 72.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.458 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -40.89 96.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.243 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.4 ' N ' HD13 ' C' ' 53' ' ' LEU . 13.4 mt -59.21 -46.66 92.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.841 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -37.57 88.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.321 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 m -53.42 -51.41 62.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.038 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.55 -42.53 88.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.603 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' NE2' ' N ' ' D' ' 124' ' ' ALA . 4.0 mm-40 -60.74 -37.58 82.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.194 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -59.77 -40.99 90.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.038 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 m -60.69 -45.99 92.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.767 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.401 HG12 ' CD1' ' C' ' 46' ' ' LEU . 12.0 mt -60.85 -34.67 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.149 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -59.95 -42.87 95.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.742 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -39.17 91.13 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.989 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.78 -44.22 81.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.456 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -56.74 18.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.75 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.662 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.73 0.3 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.48 ' CD1' HG22 ' B' ' 133' ' ' VAL . 0.1 OUTLIER -94.53 -166.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.087 -179.741 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.425 ' CD2' HD23 ' B' ' 89' ' ' LEU . 7.2 tp -144.29 -39.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.242 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.31 114.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.538 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.502 ' CD1' ' CG ' ' B' ' 125' ' ' PHE . 1.1 mt -57.41 -25.03 23.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.574 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -64.16 -47.22 80.71 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.191 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -34.35 49.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.752 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.495 HD21 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.02 -30.44 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.409 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 14.9 t80 -72.42 -50.21 28.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.91 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -28.13 69.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.598 178.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 46.6 m -65.07 -51.48 61.22 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.784 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 89' ' ' LEU . 0.8 OUTLIER -57.71 -38.7 75.7 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.024 0.44 . . . . 0.0 109.976 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -41.66 90.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.772 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -67.36 -51.26 54.33 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.434 HG22 HD11 ' B' ' 109' ' ' ILE . 13.9 mt -51.23 -46.92 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.19 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.43 ' HG3' ' CG2' ' B' ' 109' ' ' ILE . 0.2 OUTLIER -57.82 -49.8 75.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.223 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.72 -3.12 49.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.038 0.446 . . . . 0.0 110.552 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.3 m -97.8 -33.15 11.37 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.451 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.402 HD11 HD13 ' B' ' 109' ' ' ILE . 44.9 mt -88.78 -48.29 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.396 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.94 41.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.404 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.47 16.48 26.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.997 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.52 -71.29 0.09 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.716 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -33.96 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 109.953 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.421 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 6.8 p -67.78 -39.87 84.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.35 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -60.28 -38.49 83.73 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.137 0.494 . . . . 0.0 110.023 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.7 -41.49 87.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.007 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.423 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 20.1 m-20 -70.26 -43.28 70.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.625 0.726 . . . . 0.0 109.046 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.434 HD11 HG22 ' B' ' 96' ' ' ILE . 4.0 mt -58.88 -48.94 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.268 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 54.8 m -56.85 -34.52 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.896 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -51.42 68.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.68 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 mt -63.67 -41.71 98.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.374 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 4.9 mt -58.14 -39.48 78.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.675 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -61.57 -52.01 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.289 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.459 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.0 OUTLIER -60.89 -49.15 78.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.345 0.593 . . . . 0.0 109.909 179.067 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.435 ' CG1' HG23 ' B' ' 86' ' ' ILE . 98.8 t -56.61 -33.48 39.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.383 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 47.5 mt-30 -93.65 -8.16 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.42 137.94 58.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.659 0.266 . . . . 0.0 110.429 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -59.18 -59.38 5.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.386 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -46.05 91.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.829 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.0 t80 -57.83 -50.97 71.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.689 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.03 -36.78 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.234 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . 0.569 ' O ' HG13 ' B' ' 127' ' ' ILE . 19.5 m120 -63.58 -51.67 64.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.005 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.73 -49.52 74.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.0 0.429 . . . . 0.0 111.337 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.502 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 9.8 t80 -55.54 -38.55 69.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.813 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -31.58 71.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.706 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.569 HG13 ' O ' ' B' ' 123' ' ' ASN . 5.5 mt -63.41 -49.72 81.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.041 0.448 . . . . 0.0 110.39 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.73 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.7 t-80 -66.69 -38.79 87.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.951 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.3 -60.49 3.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.45 -49.3 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 0.0 111.744 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 62.8 mt -57.65 -42.24 81.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.262 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.73 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -60.4 -45.44 93.59 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.251 0.548 . . . . 0.0 109.558 179.043 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' B' ' 83' ' ' ILE . 60.3 t -56.93 -51.2 71.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.482 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.54 -30.79 71.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.245 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 14.8 ttm -56.05 -59.7 4.54 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.966 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.984 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.12 -48.4 78.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.798 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -51.64 -42.5 62.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.1 tpt -61.7 -52.41 64.42 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -59.74 -31.43 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.649 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' C' ' 9' ' ' LYS . 70.6 t -63.01 -46.64 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.474 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' C' ' 9' ' ' LYS . 14.6 mt -58.31 -46.82 85.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.058 0.456 . . . . 0.0 109.904 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -65.1 -28.5 69.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.483 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.423 ' CG1' ' HB3' ' B' ' 108' ' ' ASP . 21.3 t -74.21 -37.18 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.053 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.53 -39.69 94.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.782 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.35 -45.02 66.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.03 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -61.14 -54.54 43.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.09 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 81.6 mt -53.63 -56.56 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.966 0.412 . . . . 0.0 110.15 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . 0.412 ' HG2' ' ND2' ' C' ' 32' ' ' ASN . 5.6 tmm_? -48.77 -38.94 23.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.238 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.22 -47.03 93.19 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.117 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -36.9 84.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.494 0.188 . . . . 0.0 111.376 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 15.9 mt -64.86 -50.32 67.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 110.502 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -27.66 66.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.279 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -82.5 -32.61 28.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.678 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -83.64 -28.98 28.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.277 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.35 19.93 5.67 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.365 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 21.3 m-20 -109.15 76.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 0.0 110.167 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.95 10.17 24.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.32 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 89.5 m -78.51 -56.1 4.7 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.362 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -70.14 -20.86 63.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.585 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . 0.412 ' ND2' ' HG2' ' C' ' 20' ' ' ARG . 0.5 OUTLIER -44.07 -52.69 6.98 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.12 179.753 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -56.83 -32.79 66.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.517 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -66.35 -40.55 89.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.396 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 mt -68.56 -33.33 73.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.412 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -31.51 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.876 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.0 -44.61 47.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.553 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.435 ' CE1' ' CD1' ' C' ' 42' ' ' LEU . 3.7 t80 -69.75 -44.59 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.459 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.427 ' CE1' ' HD3' ' C' ' 43' ' ' LYS . 2.0 t80 -59.8 -53.18 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.053 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.76 -52.08 66.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.001 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' THR . . . . . 0.455 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 92.7 m -57.45 -36.14 71.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.849 0.357 . . . . 0.0 110.532 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.435 ' CD1' ' CE1' ' C' ' 38' ' ' PHE . 2.1 mt -63.65 -34.0 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.17 0.51 . . . . 0.0 109.948 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.427 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 22.1 mtpt -84.25 -29.78 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.666 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 31.2 t -44.35 135.63 4.26 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.395 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -61.72 -48.18 9.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.468 2.112 . . . . 0.0 112.017 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.83 -55.06 39.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.551 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.455 ' CD2' ' CG2' ' C' ' 41' ' ' THR . 16.4 t80 -56.77 -46.83 81.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.624 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -55.97 -36.95 68.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.592 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -63.75 -41.19 98.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 26.4 mt -60.85 -47.16 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.432 HD23 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -67.63 -34.64 77.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.243 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -53.85 -54.02 44.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.993 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . 0.4 HD13 ' N ' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -58.3 -46.27 86.41 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.602 178.758 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -60.17 -31.25 69.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.911 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -41.68 99.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.651 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -60.77 -43.77 97.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.459 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' C' ' 60' ' ' LEU . 5.7 mt -61.41 -34.64 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.825 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -43.34 95.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.614 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -42.17 95.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.102 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' C' ' 57' ' ' ILE . 1.0 OUTLIER -51.83 -54.8 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.507 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.036 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.493 ' CD1' HG21 ' D' ' 133' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.605 0.241 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.48 HD22 ' CZ ' ' D' ' 125' ' ' PHE . 14.2 tp -139.55 -41.6 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.446 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.85 110.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.2 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.53 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 0.9 OUTLIER -55.36 -25.69 17.67 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.768 -179.063 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.53 -47.23 82.49 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.075 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -33.6 54.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.683 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.515 ' CD2' HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.15 -30.01 64.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.271 179.396 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 8.3 t80 -72.38 -50.31 27.49 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.941 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -62.94 -28.77 70.3 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 35.3 m -63.24 -53.22 56.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.722 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.8 OUTLIER -58.18 -37.29 74.46 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . 0.423 ' HE2' ' CE1' ' D' ' 90' ' ' PHE . 0.6 OUTLIER -59.52 -37.2 77.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.0 OUTLIER -72.36 -48.54 40.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.107 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.417 ' HA ' ' HB ' ' D' ' 99' ' ' THR . 12.0 mt -55.41 -43.12 70.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.612 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . 0.412 ' HB3' ' CG2' ' D' ' 109' ' ' ILE . 12.7 pt20 -63.13 -43.5 98.21 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.557 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . 0.407 ' N ' ' HG3' ' D' ' 97' ' ' GLN . 2.4 m80 -86.02 -0.89 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.451 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 99' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.6 m -102.61 -32.64 9.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.495 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.416 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 78.4 mt -90.97 -48.75 6.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.288 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.53 34.98 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.654 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.81 19.18 11.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.928 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.93 -70.15 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -32.94 70.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.101 0.476 . . . . 0.0 109.971 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.428 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 90.9 p -70.05 -40.05 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.622 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -34.74 78.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 110.359 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.89 -40.75 72.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.427 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . 0.41 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 15.2 m-20 -70.93 -40.96 71.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.753 0.787 . . . . 0.0 109.119 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.435 HG13 ' CD2' ' A' ' 19' ' ' LEU . 5.3 mt -62.38 -49.52 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.551 178.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 12.3 t -55.96 -37.94 69.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.306 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.92 -50.25 73.13 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.49 -43.83 98.17 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . . . . . . . . . 5.1 mt -55.5 -39.25 70.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.346 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.83 -52.1 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.398 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.464 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 2.8 mp -59.53 -49.38 78.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.351 0.596 . . . . 0.0 109.945 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.449 ' CG1' HG22 ' D' ' 86' ' ' ILE . 61.8 t -55.45 -36.99 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.676 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.468 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 53.9 mt-30 -89.18 -10.3 47.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.25 127.59 32.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 0.0 110.48 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -58.95 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.532 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.52 -47.47 85.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.0 t80 -55.93 -51.87 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.753 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -38.85 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.995 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -59.99 -48.65 80.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . 0.446 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -58.77 -49.22 78.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.015 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.48 ' CZ ' HD22 ' D' ' 84' ' ' LEU . 2.9 t80 -60.31 -40.34 90.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.463 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -35.68 81.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.626 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' D' ' 124' ' ' ALA . 10.6 mt -64.06 -49.63 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.01 0.433 . . . . 0.0 110.444 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.636 ' O ' ' HB ' ' D' ' 132' ' ' THR . 20.2 t-80 -63.18 -45.63 90.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.317 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . 0.413 ' O ' HG21 ' D' ' 133' ' ' VAL . 25.6 t-20 -55.31 -60.81 2.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.67 -52.0 65.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . 0.436 HD12 HG23 ' D' ' 131' ' ' ILE . 52.8 mt -56.11 -40.78 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.357 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.636 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -60.67 -43.96 97.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.263 0.554 . . . . 0.0 109.565 178.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.493 HG21 ' CD1' ' D' ' 83' ' ' ILE . 50.5 t -55.65 -51.66 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.542 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -64.02 -30.71 71.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.107 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.2 ttm . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.081 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.807 0.337 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.86 -53.39 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.3 tttt -53.76 -43.35 69.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 mmt -60.64 -44.5 96.32 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 25.1 tp60 -68.23 -31.37 70.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.662 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.403 HG22 ' CD2' ' D' ' 115' ' ' LEU . 60.8 t -62.69 -56.34 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.637 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 20.7 mt -55.49 -42.6 74.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.046 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -69.63 -28.24 65.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.555 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.415 HG11 ' HB3' ' D' ' 108' ' ' ASP . 2.1 t -73.66 -37.02 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.942 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' O ' HD11 ' A' ' 35' ' ' LEU . 10.7 mt -64.75 -45.19 87.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.992 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.408 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -67.67 -39.26 84.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.777 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -53.21 18.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' D' ' 109' ' ' ILE . 35.8 mt -52.28 -57.8 8.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.045 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HB2' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -56.88 -37.85 71.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.258 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.43 -44.4 93.64 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.544 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.72 -41.1 98.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 23.4 mt -62.96 -50.43 70.82 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.681 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -54.47 -31.16 55.18 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.271 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 1.1 mm-40 -83.38 -32.11 26.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.886 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -73.67 -31.8 63.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.991 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.37 6.47 9.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.288 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -110.94 82.97 1.68 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.947 0.404 . . . . 0.0 110.051 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.61 32.26 1.86 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.282 0.563 . . . . 0.0 109.637 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.3 m -101.09 -40.5 7.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.466 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.43 ' HG3' ' CD2' ' D' ' 95' ' ' HIS . 3.2 mm-40 -72.36 -26.16 61.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.583 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' HB2' ' A' ' 20' ' ' ARG . 33.6 p-10 -47.98 -46.32 32.48 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -32.89 66.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.061 0.458 . . . . 0.0 110.007 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -75.85 -44.64 39.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.876 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.406 HD11 ' O ' ' A' ' 16' ' ' LEU . 2.3 mt -63.4 -31.45 72.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.128 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.4 m -77.09 -32.59 56.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.636 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB1' ' CD1' ' D' ' 84' ' ' LEU . . . -70.98 -48.07 55.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.436 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.426 ' CD1' HD12 ' A' ' 42' ' ' LEU . 4.5 t80 -66.72 -46.37 75.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.343 0.592 . . . . 0.0 109.843 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.477 ' CZ ' ' HE3' ' A' ' 43' ' ' LYS . 11.4 t80 -58.04 -53.42 58.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.792 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.82 -52.07 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.644 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.3 m -57.05 -33.01 66.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.326 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.426 HD12 ' CD1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -65.12 -36.02 82.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.993 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -71.96 -29.77 64.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.779 179.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.6 t -45.42 125.9 6.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.443 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -60.5 -46.69 16.49 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.28 1.987 . . . . 0.0 111.718 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.417 ' CD1' HG12 ' C' ' 57' ' ' ILE . 0.2 OUTLIER -57.77 -53.09 62.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.325 179.708 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.487 ' CE1' ' CD2' ' A' ' 51' ' ' LEU . 12.6 t80 -58.19 -48.08 81.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.377 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -55.98 -37.08 68.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.57 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -61.61 -44.07 97.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.262 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 mt -58.61 -43.09 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.796 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.487 ' CD2' ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -68.67 -36.93 79.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.8 m -53.66 -50.66 65.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.1 0.476 . . . . 0.0 110.014 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -45.85 92.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.705 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.65 -32.88 72.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.401 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -63.63 -40.53 97.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 t -60.77 -43.15 98.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.455 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.402 ' CD1' ' CD1' ' C' ' 46' ' ' LEU . 7.7 mt -61.58 -36.86 75.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.044 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -60.53 -38.58 84.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.742 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -63.94 -40.5 96.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.99 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.42 -49.06 73.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.671 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -59.73 -49.07 79.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.621 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.796 0.332 . . . . 0.0 110.636 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.451 ' CD1' ' CG2' ' B' ' 133' ' ' VAL . 0.2 OUTLIER -91.73 -165.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.84 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' C' ' 38' ' ' PHE . 69.6 tp -141.38 -45.0 0.37 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.832 0.348 . . . . 0.0 111.541 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.06 100.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.087 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.526 HG13 HD22 ' B' ' 89' ' ' LEU . 0.8 OUTLIER -49.88 -27.51 3.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.578 -179.4 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.01 -46.09 89.29 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.276 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -77.15 -36.54 55.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.129 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.526 HD22 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.43 -29.7 63.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.607 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.46 -46.82 53.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.132 0.492 . . . . 0.0 109.849 179.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 59.7 m -61.51 -34.01 74.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.678 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' SER . . . . . 0.417 ' CB ' ' HG2' ' C' ' 34' ' ' LYS . 0.6 OUTLIER -62.31 -53.5 54.16 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.631 179.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.684 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.6 OUTLIER -55.02 -35.65 64.65 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -45.37 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.571 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -66.86 -55.66 13.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' B' ' 93' ' ' LEU . 4.1 mt -50.86 -33.55 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.19 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' B' ' 93' ' ' LEU . 0.5 OUTLIER -65.18 -48.68 72.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.94 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.22 -21.64 49.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.002 0.43 . . . . 0.0 110.419 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -84.67 -33.36 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.273 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.457 ' HB2' ' CD1' ' B' ' 109' ' ' ILE . 94.1 mt -108.48 79.96 1.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.79 38.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.122 -178.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.63 17.41 5.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.925 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' B' ' 106' ' ' GLN . 5.9 m 70.91 -68.2 0.22 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.783 0.325 . . . . 0.0 111.041 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -30.58 70.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.471 . . . . 0.0 109.828 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.432 ' CB ' ' HB3' ' B' ' 100' ' ' LEU . 0.2 OUTLIER -72.08 -47.01 54.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.748 179.52 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . 0.498 ' HA ' HD11 ' B' ' 109' ' ' ILE . 5.0 pt20 -61.65 -30.25 70.59 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.872 0.367 . . . . 0.0 110.232 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -71.18 -41.21 70.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.282 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.401 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 30.8 m-20 -70.27 -41.34 73.59 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.498 HD11 ' HA ' ' B' ' 106' ' ' GLN . 4.8 mt -60.23 -49.46 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.494 178.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 49.4 m -56.39 -34.41 66.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.605 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.69 -51.45 68.72 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.828 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.412 ' CD2' HG11 ' C' ' 15' ' ' VAL . 3.1 mt -62.82 -43.72 98.04 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' B' ' 93' ' ' LEU . 5.5 mt -56.1 -40.76 74.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.782 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.97 -51.82 66.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.447 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.4 mp -60.13 -50.32 74.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.215 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.42 ' CG1' HG21 ' B' ' 86' ' ' ILE . 43.3 t -59.37 -35.89 60.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.473 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -89.57 -6.38 56.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.664 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.05 151.62 42.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.553 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.12 -58.65 3.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.232 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.49 -47.35 86.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.961 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 9.8 t80 -55.59 -51.07 68.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.651 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 71.3 mt-30 -54.23 -41.19 68.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . 0.436 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.5 OUTLIER -59.65 -49.66 76.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.11 -45.02 87.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.008 0.432 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.46 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 1.9 t80 -59.91 -38.4 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 2.8 mmtt -65.08 -38.47 90.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.71 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.453 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 18.5 mt -60.83 -49.46 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.123 0.487 . . . . 0.0 110.465 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.71 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.5 t-80 -66.88 -28.68 68.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -64.67 -60.95 2.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.39 -50.78 62.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 64.8 mt -53.75 -41.59 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 121.25 -0.18 . . . . 0.0 111.191 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.71 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -61.81 -48.66 79.63 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.737 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.451 ' CG2' ' CD1' ' B' ' 83' ' ' ILE . 39.8 t -55.61 -51.22 60.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.799 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -63.47 -30.85 71.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.271 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 15.9 ttm -56.66 -54.3 47.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.899 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.912 0.387 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -62.51 -54.39 40.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.436 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.5 tmmm? -59.1 -43.18 91.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.56 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.2 tpt -61.47 -49.2 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -62.8 -33.19 74.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.74 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' C' ' 16' ' ' LEU . 25.4 t -60.7 -56.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.509 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' C' ' 9' ' ' LYS . 15.6 mt -53.53 -42.4 67.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 110.365 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -28.4 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.739 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' B' ' 112' ' ' LEU . 3.2 t -75.13 -36.36 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.906 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 69.2 mt -64.29 -42.62 96.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -70.09 -44.93 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.979 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -54.52 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.269 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' B' ' 109' ' ' ILE . 65.9 mt -54.85 -56.99 13.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.429 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . 0.412 ' CA ' HD12 ' C' ' 35' ' ' LEU . 0.2 OUTLIER -54.55 -30.29 53.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.764 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.21 -43.39 80.31 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.229 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.418 ' CB ' ' CD2' ' B' ' 100' ' ' LEU . 2.4 mmtp -59.39 -37.33 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 110.492 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 22.9 mt -66.37 -50.07 64.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.506 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -27.3 62.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.324 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.75 -33.9 27.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.441 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -80.45 -30.65 37.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.403 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.56 20.96 3.75 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.684 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -116.44 81.89 1.7 Allowed 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.983 0.421 . . . . 0.0 110.05 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.12 8.67 31.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.394 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -86.74 -42.8 13.05 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.306 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -72.41 -22.5 61.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.502 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.91 -38.18 75.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.452 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.74 -42.13 78.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.848 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.417 ' HG2' ' CB ' ' B' ' 92' ' ' SER . 0.0 OUTLIER -60.56 -55.07 37.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.048 178.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' C' ' 35' ' ' LEU . 1.1 mt -57.96 -33.7 69.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.422 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -77.12 -32.48 56.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.013 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . 0.417 ' CB ' ' CD1' ' B' ' 84' ' ' LEU . . . -72.18 -42.05 66.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.431 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.483 ' HB2' ' CD2' ' B' ' 84' ' ' LEU . 7.4 t80 -71.72 -47.43 53.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.467 0.651 . . . . 0.0 109.769 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.472 ' CZ ' ' NZ ' ' C' ' 43' ' ' LYS . 80.7 t80 -53.55 -53.12 56.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.316 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.51 -52.31 65.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.971 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' THR . . . . . 0.409 HG22 ' CD2' ' C' ' 47' ' ' PHE . 86.6 m -59.66 -33.32 71.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 110.374 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.441 ' CD1' ' CZ ' ' C' ' 38' ' ' PHE . 0.3 OUTLIER -62.67 -36.74 83.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.983 179.182 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.472 ' NZ ' ' CZ ' ' C' ' 39' ' ' TYR . 0.0 OUTLIER -71.27 -33.32 69.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.408 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 27.9 m -45.95 124.66 6.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.162 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.46 -42.41 34.09 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.237 1.958 . . . . 0.0 111.5 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.402 ' CD1' ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -57.82 -55.56 33.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.629 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.421 ' CE1' HD23 ' C' ' 51' ' ' LEU . 10.6 t80 -60.89 -41.99 97.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.329 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -58.45 -34.99 71.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.343 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -67.48 -39.45 85.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.323 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 40.3 mt -59.73 -44.75 94.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.804 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.421 HD23 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -67.23 -36.81 82.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.329 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 73.4 m -53.99 -50.41 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.992 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -46.31 89.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.894 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -33.52 72.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.942 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -40.03 95.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.85 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.97 -48.0 83.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.739 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.417 HG12 ' CD1' ' A' ' 46' ' ' LEU . 6.5 mt -60.27 -35.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.048 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -61.7 -36.37 80.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.623 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.02 -39.87 90.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.775 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' C' ' 57' ' ' ILE . 0.8 OUTLIER -53.81 -55.11 29.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.389 179.265 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.011 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.45 ' CD1' ' N ' ' D' ' 83' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.121 0.486 . . . . 0.0 111.244 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 38' ' ' PHE . 9.5 tp -145.46 -32.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.354 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.36 109.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.741 0.305 . . . . 0.0 110.41 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 0.8 OUTLIER -55.99 -28.76 25.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.812 -179.315 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.11 -44.97 94.18 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.347 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -34.82 50.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.839 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.53 HD22 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.13 -29.67 64.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.37 179.287 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 13.6 t80 -72.29 -50.25 28.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.941 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 35.7 m -62.03 -30.17 70.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.642 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -62.77 -52.13 64.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.354 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.7 OUTLIER -57.24 -36.89 71.5 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.488 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -59.92 -38.46 82.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.826 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . 0.43 ' CD2' ' HG3' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -71.27 -50.47 32.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.486 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' D' ' 93' ' ' LEU . 10.2 mt -55.75 -39.72 57.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.09 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -50.97 68.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.99 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -80.99 -1.37 43.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.541 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 99' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' D' ' 95' ' ' HIS . 1.5 m -100.7 -33.86 10.1 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.752 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.426 HD13 HD13 ' D' ' 109' ' ' ILE . 36.4 mt -87.91 -51.78 5.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.31 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.35 36.09 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.812 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.3 OUTLIER -99.84 23.17 10.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.765 179.661 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.73 -72.02 0.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.749 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -59.74 -31.27 69.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.032 0.444 . . . . 0.0 109.876 179.338 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -40.82 75.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.445 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -32.26 73.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.075 0.464 . . . . 0.0 110.129 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -71.05 -40.78 71.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.417 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . 0.415 ' HB3' HG11 ' A' ' 15' ' ' VAL . 70.4 m-20 -70.65 -44.43 67.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.802 0.811 . . . . 0.0 108.813 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.466 HG13 ' CD2' ' A' ' 19' ' ' LEU . 6.3 mt -60.43 -49.07 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.73 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 110' ' ' SER . . . . . 0.401 ' HA ' ' CD1' ' D' ' 113' ' ' LEU . 7.8 m -57.56 -34.06 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.353 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -51.42 70.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.1 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . 0.403 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.9 mt -61.67 -43.34 99.05 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' D' ' 117' ' ' GLN . 6.1 mt -55.22 -50.3 69.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.489 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 6.8 mt-30 -61.32 -44.26 97.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.396 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.483 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 1.6 mp -60.11 -37.98 81.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.966 179.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.445 ' CG1' HG23 ' D' ' 86' ' ' ILE . 83.2 t -69.24 -53.73 23.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.625 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -63.21 -18.89 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.793 -179.326 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -53.15 114.3 1.42 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.789 0.328 . . . . 0.0 110.534 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . 0.494 ' HG2' ' N ' ' D' ' 120' ' ' ASP . 0.0 OUTLIER -47.99 -47.51 33.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.934 -179.143 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . 0.494 ' N ' ' HG2' ' D' ' 119' ' ' LYS . 0.9 OUTLIER -65.94 -50.66 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.111 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 2.9 t80 -59.58 -44.86 93.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.03 0.443 . . . . 0.0 110.288 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 7.9 tt0 -55.96 -41.7 75.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.235 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.424 ' HB3' HG12 ' B' ' 127' ' ' ILE . 21.9 m120 -64.81 -42.46 94.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.766 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.23 77.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.086 0.47 . . . . 0.0 110.864 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.457 ' CG ' ' CD1' ' D' ' 86' ' ' ILE . 11.4 t80 -59.37 -37.44 77.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.988 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 5.7 mmpt? -63.92 -36.22 83.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.665 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.453 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 15.4 mt -64.66 -49.37 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.656 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.592 ' O ' ' HB ' ' D' ' 132' ' ' THR . 21.0 t-80 -64.08 -50.16 69.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -55.59 -58.7 6.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.723 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.75 -52.16 66.9 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . 0.435 HD12 HG22 ' D' ' 131' ' ' ILE . 60.9 mt -59.59 -43.41 90.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.234 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.592 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -62.62 -46.69 87.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.106 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.41 ' N ' ' CG2' ' D' ' 132' ' ' THR . 92.0 t -58.08 -48.05 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.096 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -63.16 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.011 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 4.9 ttm . . . . . 0 C--N 1.332 -0.163 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.349 179.473 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.825 0.345 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.75 -56.83 11.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.2 tmmm? -61.06 -43.82 98.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.603 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 tpt -61.6 -46.91 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' O ' HG22 ' A' ' 15' ' ' VAL . 28.6 tp60 -62.73 -38.76 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.7 t -54.92 -54.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.524 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.448 ' HB3' ' CE1' ' A' ' 39' ' ' TYR . 14.5 mt -53.93 -45.11 71.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.287 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -28.72 68.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.979 178.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 11' ' ' GLN . 10.7 t -73.31 -37.73 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.895 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.443 ' O ' HD13 ' A' ' 35' ' ' LEU . 12.3 mt -64.3 -43.14 95.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.138 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -72.18 -33.08 67.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -53.66 13.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.713 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' D' ' 109' ' ' ILE . 85.4 mt -55.44 -57.19 12.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 0.0 110.622 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.447 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 2.1 ppt_? -56.24 -35.07 66.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.823 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.68 -43.82 98.74 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.489 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -34.88 79.17 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB3' ' O ' ' A' ' 28' ' ' ASP . 14.8 mt -68.57 -50.09 54.48 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.275 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -57.76 -26.99 62.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.188 179.437 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 4.2 mm-40 -82.51 -32.09 28.91 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.165 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.19 -39.03 50.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.08 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.79 -4.3 5.75 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.721 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 86.1 m-20 -100.49 80.06 2.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.327 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.73 5.91 33.97 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.144 0.497 . . . . 0.0 110.005 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.9 m -69.05 -54.18 16.46 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.45 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.427 ' HG2' ' CD2' ' D' ' 95' ' ' HIS . 3.4 mp0 -71.63 -23.99 61.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.144 179.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -54.23 -46.36 72.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.346 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -32.83 66.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.176 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -66.03 -47.45 74.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.212 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.463 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.2 mt -61.46 -30.9 70.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.489 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -76.53 -31.88 57.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.868 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.9 -48.56 44.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.485 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.484 ' CE1' ' CD1' ' A' ' 42' ' ' LEU . 5.5 t80 -69.15 -40.71 78.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.194 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.461 ' CE1' ' CD ' ' A' ' 43' ' ' LYS . 2.0 t80 -58.9 -53.38 59.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.776 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -59.32 -38.71 80.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.557 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.45 ' CG2' ' CE1' ' A' ' 47' ' ' PHE . 91.7 m -63.08 -45.85 90.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.514 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.484 ' CD1' ' CE1' ' A' ' 38' ' ' PHE . 6.2 mt -60.2 -32.58 71.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.207 0.527 . . . . 0.0 110.396 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.461 ' CD ' ' CE1' ' A' ' 39' ' ' TYR . 23.0 mtpt -77.63 -29.9 52.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.663 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -45.43 142.21 3.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.329 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -62.52 -64.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.54 2.16 . . . . 0.0 112.87 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -57.35 -34.36 68.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.722 -179.783 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.472 ' N ' ' HG ' ' A' ' 46' ' ' LEU . 31.9 t80 -63.28 -47.35 82.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.115 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -55.55 -35.56 65.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.903 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -64.65 -40.17 94.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.289 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.425 HG12 ' CD2' ' C' ' 53' ' ' LEU . 1.9 mt -62.98 -44.67 99.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.752 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.432 HD21 ' CE2' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -70.68 -43.2 69.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.55 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.8 m -54.92 -45.87 74.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.39 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.29 -47.71 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.287 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.72 -42.57 89.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.752 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -33.3 74.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.396 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.77 -42.31 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.764 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.452 HG12 ' CD1' ' C' ' 46' ' ' LEU . 2.4 mt -61.15 -44.0 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.152 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -55.13 -44.32 74.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.259 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -58.92 -41.12 86.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.093 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mt -61.54 -41.46 97.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.615 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -43.3 92.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.52 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 120.814 0.34 . . . . 0.0 110.148 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.48 ' H ' ' CD1' ' B' ' 83' ' ' ILE . 0.2 OUTLIER -84.85 -172.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.033 -179.713 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.562 ' O ' ' O ' ' B' ' 85' ' ' GLU . 2.2 pt? -165.95 21.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.562 ' O ' ' O ' ' B' ' 84' ' ' LEU . 2.1 mm-40 44.44 113.16 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.95 0.405 . . . . 0.0 111.869 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.553 ' HA ' ' CD2' ' B' ' 89' ' ' LEU . 0.9 OUTLIER -51.51 -27.42 7.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -42.25 99.2 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.059 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.79 -40.61 40.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.701 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.553 ' CD2' ' HA ' ' B' ' 86' ' ' ILE . 0.2 OUTLIER -73.16 -28.18 62.08 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.639 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.484 ' CB ' ' O ' ' B' ' 86' ' ' ILE . 18.6 t80 -69.37 -48.26 61.81 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 25.0 t -64.38 -29.34 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' SER . . . . . 0.402 ' C ' HD11 ' B' ' 96' ' ' ILE . 0.2 OUTLIER -63.74 -50.62 68.38 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.522 179.409 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' B' ' 89' ' ' LEU . 0.7 OUTLIER -59.15 -37.82 78.23 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.89 0.376 . . . . 0.0 110.029 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.71 -38.87 82.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.839 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 0.2 OUTLIER -72.06 -46.28 57.54 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.284 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.483 ' HA ' ' HB ' ' B' ' 99' ' ' THR . 19.4 mt -54.63 -44.81 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.863 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.442 ' HG3' HG22 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -58.42 -48.47 80.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.505 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.24 -0.96 51.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.015 0.436 . . . . 0.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' THR . . . . . 0.483 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 2.8 m -100.42 -31.24 11.4 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.427 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 26.3 mt -92.51 -49.7 5.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.212 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.85 34.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.716 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -96.96 19.93 11.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.79 -70.85 0.1 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.65 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -29.16 67.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.041 0.448 . . . . 0.0 110.013 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 0.4 OUTLIER -70.7 -42.94 69.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.642 179.505 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -35.73 79.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.402 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.75 -40.93 75.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.724 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.412 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 50.1 m-20 -70.56 -43.17 70.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.768 0.794 . . . . 0.0 108.951 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.445 HG13 ' CD2' ' C' ' 19' ' ' LEU . 5.0 mt -59.7 -49.13 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.504 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 6.0 t -56.07 -35.69 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.913 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -51.33 69.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.958 178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.421 ' CD2' HG13 ' C' ' 15' ' ' VAL . 1.6 mt -63.51 -39.51 94.61 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 5.2 mt -60.31 -39.63 87.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.441 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -52.33 64.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 0.8 OUTLIER -60.98 -50.62 72.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.276 0.56 . . . . 0.0 109.8 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.427 ' CG1' HG21 ' B' ' 86' ' ' ILE . 73.9 t -53.7 -36.04 28.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.513 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 53.0 mt-30 -90.91 -9.97 44.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.32 130.21 45.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.782 0.325 . . . . 0.0 110.418 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -58.91 4.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.653 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.75 -49.8 73.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.189 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.491 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.4 t80 -55.46 -56.1 24.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.34 . . . . 0.0 110.679 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -51.67 -37.12 49.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . 0.5 ' HB3' HG12 ' D' ' 127' ' ' ILE . 3.7 m-20 -62.04 -51.86 66.3 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.771 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.31 75.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.241 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.483 ' HA ' ' CE1' ' C' ' 47' ' ' PHE . 40.1 t80 -53.06 -39.91 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.14 -37.26 80.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.57 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.477 HG13 ' O ' ' B' ' 123' ' ' ASN . 14.8 mt -67.26 -49.91 67.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.003 0.43 . . . . 0.0 110.646 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.759 ' O ' ' HB ' ' B' ' 132' ' ' THR . 27.4 t-80 -68.59 -27.71 66.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.905 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.447 ' HA ' ' CG2' ' B' ' 83' ' ' ILE . 0.9 OUTLIER -67.43 -60.86 2.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.222 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.57 -49.34 71.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . 0.409 ' CG2' HG22 ' A' ' 57' ' ' ILE . 62.7 mt -56.74 -43.1 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.452 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.759 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.3 OUTLIER -61.21 -49.25 77.9 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.331 0.586 . . . . 0.0 109.56 179.022 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' B' ' 129' ' ' ASN . 58.4 t -52.79 -48.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.385 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.9 -32.09 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.4 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 29.5 ttm -56.75 -57.25 13.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.5 -54.51 35.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.701 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 1.3 tmtt? -54.74 -41.68 70.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.711 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.7 tpt -61.49 -47.76 84.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.121 0.486 . . . . 0.0 109.723 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -65.36 -30.98 71.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.809 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 74.2 t -62.55 -53.73 43.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.63 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' C' ' 9' ' ' LYS . 20.2 mt -56.64 -43.92 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.72 68.45 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.421 HG13 ' CD2' ' B' ' 112' ' ' LEU . 2.1 t -73.12 -38.61 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.837 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' C' ' 39' ' ' TYR . 19.7 mt -64.45 -35.39 80.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.533 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -43.9 69.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.845 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -63.65 -54.77 30.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.032 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 84.9 mt -53.19 -53.69 46.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.995 0.426 . . . . 0.0 110.265 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . 0.433 ' HD2' ' CB ' ' C' ' 32' ' ' ASN . 0.6 OUTLIER -49.62 -42.44 44.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.947 179.577 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.62 93.03 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.108 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -60.2 -40.23 89.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.696 0.284 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.46 ' HB3' ' O ' ' C' ' 28' ' ' ASP . 19.1 mt -61.88 -50.84 70.6 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 120.876 0.369 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.48 -26.64 66.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.163 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.22 -31.34 30.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.839 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -86.53 -34.78 19.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.441 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.32 -18.39 8.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.681 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . 0.46 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 35.5 m-20 -70.96 76.61 0.65 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.99 0.424 . . . . 0.0 110.076 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.62 14.15 8.94 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.985 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 91.8 m -82.62 -35.97 26.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.647 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.475 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 0.6 OUTLIER -86.94 -26.41 23.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.336 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . 0.433 ' CB ' ' HD2' ' C' ' 20' ' ' ARG . 2.4 m120 -45.96 -50.95 14.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.975 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -33.28 67.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.08 0.467 . . . . 0.0 110.178 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' B' ' 84' ' ' LEU . 7.8 mmmm -68.17 -49.6 59.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.171 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 mt -57.91 -29.46 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.803 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 39.9 m -73.58 -38.95 65.0 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.245 0.545 . . . . 0.0 109.793 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . 0.429 ' CB ' ' HB3' ' B' ' 84' ' ' LEU . . . -69.51 -47.79 62.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.398 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.436 ' CD1' HD22 ' B' ' 89' ' ' LEU . 2.1 t80 -63.83 -37.01 85.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.002 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.471 ' CZ ' ' NZ ' ' C' ' 43' ' ' LYS . 87.7 t80 -70.15 -54.0 14.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.795 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.3 -50.53 71.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.568 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 91.4 m -53.09 -41.78 65.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.338 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -37.09 80.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.876 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.471 ' NZ ' ' CZ ' ' C' ' 39' ' ' TYR . 0.0 OUTLIER -75.07 -28.55 60.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.123 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.3 m -45.74 146.51 1.88 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.557 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.21 -48.04 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.598 2.199 . . . . 0.0 112.531 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.452 ' CD1' HG12 ' A' ' 57' ' ' ILE . 3.1 mm? -57.88 -55.49 34.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.483 ' CE1' ' HA ' ' B' ' 125' ' ' PHE . 4.9 t80 -53.8 -46.58 71.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -55.63 -40.48 72.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -62.15 -41.96 98.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.1 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . 0.494 ' O ' ' HG2' ' C' ' 54' ' ' GLN . 25.7 mt -60.88 -53.0 55.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.758 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' C' ' 47' ' ' PHE . 0.5 OUTLIER -58.56 -38.23 77.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.261 179.663 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 85.5 m -53.58 -44.84 69.67 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . 0.425 ' CD2' HG12 ' A' ' 50' ' ' ILE . 1.1 tp -61.67 -38.4 87.64 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.84 178.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' C' ' 50' ' ' ILE . 4.2 mm-40 -64.76 -38.52 91.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.891 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -59.23 -40.48 86.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.309 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -61.74 -53.31 57.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.19 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.446 ' CD1' ' CD1' ' A' ' 46' ' ' LEU . 29.3 mt -63.22 -34.83 69.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.49 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -42.46 99.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.048 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.99 -39.64 92.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.998 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.89 -60.49 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.619 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.19 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.49 ' CD1' HG21 ' D' ' 133' ' ' VAL . 1.2 pt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.562 0.22 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' D' ' 89' ' ' LEU . 1.9 pt? -158.59 -2.32 0.09 Allowed 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.1 OUTLIER 58.89 143.16 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.983 0.42 . . . . 0.0 111.368 179.369 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.629 ' HA ' ' CD2' ' D' ' 89' ' ' LEU . 1.0 OUTLIER -70.37 -34.06 56.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.536 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -44.65 96.6 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.878 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.04 -40.95 52.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.808 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.629 ' CD2' ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -73.28 -27.39 61.53 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.714 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' D' ' 86' ' ' ILE . 1.4 t80 -69.34 -48.17 62.2 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 9.8 m -64.62 -30.26 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 92' ' ' SER . . . . . 0.432 ' C ' HD12 ' D' ' 96' ' ' ILE . 32.1 m -63.61 -51.64 64.36 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.637 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.9 OUTLIER -56.98 -39.22 74.22 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.68 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -37.31 77.45 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . 0.427 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 1.1 t60 -70.86 -51.44 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.432 HD12 ' C ' ' D' ' 92' ' ' SER . 10.6 mt -52.81 -39.95 33.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.895 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -49.33 75.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.778 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -83.12 -1.24 52.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.551 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 99' ' ' THR . . . . . 0.403 ' N ' ' O ' ' D' ' 95' ' ' HIS . 1.6 m -101.2 -32.53 10.49 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.407 HD11 HD21 ' A' ' 19' ' ' LEU . 72.8 mt -92.24 -51.67 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.275 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.02 34.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.667 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -95.09 20.22 9.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.936 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 16.0 m 67.11 -70.16 0.12 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.103 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -33.45 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.19 0.519 . . . . 0.0 110.115 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.411 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 87.7 p -70.7 -37.12 73.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.674 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.21 -37.41 87.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.389 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -39.72 75.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.29 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.63 -41.79 71.75 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' A' ' 19' ' ' LEU . 5.8 mt -60.24 -49.34 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.089 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 11.9 p -56.12 -35.43 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.778 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -51.18 70.13 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.964 178.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . 0.409 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.3 mt -63.57 -41.58 98.37 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 178.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' D' ' 117' ' ' GLN . 4.8 mt -57.76 -42.11 83.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.786 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.91 -50.06 73.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.007 0.432 . . . . 0.0 110.546 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 1.7 mp -60.97 -51.89 67.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.006 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.44 ' CG1' HG23 ' D' ' 86' ' ' ILE . 51.7 t -57.16 -30.19 34.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.65 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.447 ' NE2' ' CE1' ' D' ' 90' ' ' PHE . 73.9 mt-30 -94.62 -9.38 35.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.58 153.48 39.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.699 0.285 . . . . 0.0 110.361 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -59.07 2.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 111.362 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -48.35 81.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.935 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 7.5 t80 -55.97 -55.3 34.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.566 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -49.7 -37.79 30.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.461 ' HB3' ' CD1' ' B' ' 127' ' ' ILE . 30.0 m-20 -64.2 -42.92 96.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.187 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.86 -49.38 77.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.743 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.443 ' CD1' HD12 ' D' ' 86' ' ' ILE . 10.5 t80 -65.12 -35.93 82.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.347 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -62.56 -38.26 89.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.36 . . . . 0.0 110.677 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.5 HG12 ' HB3' ' B' ' 123' ' ' ASN . 56.4 mt -67.78 -49.67 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.645 ' O ' ' HB ' ' D' ' 132' ' ' THR . 23.7 t-80 -64.27 -47.3 80.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . 0.416 ' O ' HG21 ' D' ' 133' ' ' VAL . 3.4 t30 -54.91 -60.61 3.13 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.78 -52.26 65.84 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . 0.424 HD11 HG23 ' D' ' 131' ' ' ILE . 68.5 mt -56.91 -43.1 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.217 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.645 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -60.69 -46.83 88.87 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.089 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' D' ' 83' ' ' ILE . 75.5 t -55.65 -43.71 74.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.599 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -63.31 -31.21 72.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.034 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 4.1 ttm . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.514 179.57 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.767 0.317 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 12' ' ' VAL . 6.2 mm-40 -65.51 -39.19 91.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.448 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -62.23 -48.18 81.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.091 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.7 tpt -61.99 -45.05 95.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.435 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 6.4 tm0? -61.44 -35.44 77.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.536 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 9' ' ' LYS . 12.9 t -61.16 -47.61 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.547 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 13.9 mt -58.47 -44.55 89.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.263 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -28.64 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.165 0.507 . . . . 0.0 109.763 178.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.435 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 3.2 t -73.61 -39.86 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.055 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 12.8 mt -62.72 -40.6 97.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.526 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.58 -42.63 64.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.863 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -61.23 -54.7 40.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 90.1 mt -53.58 -52.69 58.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.947 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG2' ' HA ' ' A' ' 32' ' ' ASN . 4.2 tmm_? -48.87 -46.43 42.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.149 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.91 -43.56 92.63 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.173 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 3.3 mttm -65.76 -32.06 73.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.579 0.228 . . . . 0.0 111.397 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 20.8 mt -71.21 -50.75 29.75 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.126 0.489 . . . . 0.0 110.675 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -26.81 67.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.173 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -82.85 -34.6 26.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.459 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 1.8 mptt -80.03 -29.96 39.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.391 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.0 21.59 3.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.46 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.468 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 39.4 m-20 -116.89 78.93 1.26 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.125 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.61 7.67 38.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.334 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.4 m -79.1 -53.58 6.86 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.162 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 3.3 mp0 -68.81 -13.37 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.483 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -55.04 -47.7 74.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -39.71 74.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.068 0.461 . . . . 0.0 110.086 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.508 ' HG3' HD13 ' D' ' 84' ' ' LEU . 0.1 OUTLIER -57.18 -55.04 39.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.287 179.11 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.4 mt -58.94 -33.25 70.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.194 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m -76.75 -33.29 58.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.173 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' D' ' 84' ' ' LEU . . . -74.18 -43.38 57.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.806 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.459 ' CE1' ' CD1' ' A' ' 42' ' ' LEU . 3.1 t80 -71.47 -45.08 63.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.196 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 13' ' ' LEU . 49.3 t80 -55.35 -53.16 59.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.984 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.64 -48.38 81.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.456 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 95.2 m -57.24 -42.72 81.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.459 ' CD1' ' CE1' ' A' ' 38' ' ' PHE . 5.0 mt -60.87 -35.55 76.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.126 0.489 . . . . 0.0 110.206 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.428 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 18.3 mtpt -76.77 -32.66 57.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.402 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.1 t -42.58 128.48 2.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.553 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.53 -53.49 3.94 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.478 2.119 . . . . 0.0 112.09 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.435 ' CD1' ' CG1' ' C' ' 57' ' ' ILE . 0.6 OUTLIER -57.93 -49.11 77.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.31 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.456 ' CD2' ' CG2' ' A' ' 41' ' ' THR . 31.2 t80 -57.78 -44.85 86.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -55.92 -35.08 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.163 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -66.06 -40.72 91.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.153 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt -59.55 -47.08 92.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.571 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.452 ' CD2' ' CE1' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -65.11 -43.31 92.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.08 179.35 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.3 m -56.0 -35.03 66.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.27 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -51.03 61.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.043 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.402 ' NE2' ' CB ' ' D' ' 124' ' ' ALA . 0.1 OUTLIER -59.05 -42.35 90.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.165 179.318 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -34.6 73.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.173 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.8 m -65.46 -39.47 92.03 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.918 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.452 ' HA ' ' CD2' ' A' ' 60' ' ' LEU . 3.0 mt -59.34 -46.2 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.092 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 5.4 mttt -63.91 -30.31 71.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.106 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -57.73 11.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.959 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -72.25 -27.51 62.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.049 0.452 . . . . 0.0 110.438 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . 24.3 mtmt -54.54 -39.76 68.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.995 0.426 . . . . 0.0 110.302 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.834 179.873 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.721 0.296 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.487 ' CD1' ' CG2' ' B' ' 133' ' ' VAL . 0.1 OUTLIER -87.3 -160.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.636 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' C' ' 38' ' ' PHE . 4.9 tp -160.44 -37.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.701 0.286 . . . . 0.0 111.293 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.36 112.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.722 0.296 . . . . 0.0 110.538 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' B' ' 90' ' ' PHE . 0.9 OUTLIER -54.74 -26.77 17.37 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.695 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -63.07 -49.83 72.98 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.161 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -33.39 60.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.157 0.503 . . . . 0.0 109.657 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.49 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -71.86 -30.02 65.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.391 179.526 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.545 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.1 t80 -71.62 -50.91 26.33 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.843 179.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 5.8 m -60.13 -31.85 70.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.665 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' SER . . . . . 0.4 ' O ' ' CD1' ' B' ' 96' ' ' ILE . 0.4 OUTLIER -61.35 -53.01 62.16 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.382 179.354 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.679 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.7 OUTLIER -56.33 -35.31 67.45 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.387 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' B' ' 90' ' ' PHE . 11.2 mmmm -58.68 -44.83 90.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.704 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -66.64 -55.73 13.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' B' ' 93' ' ' LEU . 4.1 mt -51.19 -33.84 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.109 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -65.73 -49.39 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.801 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -77.1 -20.47 55.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.436 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -84.38 -35.44 23.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.072 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' B' ' 105' ' ' SER . 85.3 mt -103.39 83.3 2.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.88 36.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.238 -178.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.72 16.34 10.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.034 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t 69.03 -68.18 0.19 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.203 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -56.61 -37.62 70.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.03 0.443 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.469 ' CB ' ' HB3' ' B' ' 100' ' ' LEU . 1.4 m -66.31 -38.14 87.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.738 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.93 -33.72 76.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.061 0.458 . . . . 0.0 110.072 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.14 -41.05 77.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.631 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.414 ' HB3' HG11 ' C' ' 15' ' ' VAL . 48.2 m-20 -70.3 -42.85 71.48 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.461 HG13 ' CD2' ' C' ' 19' ' ' LEU . 4.8 mt -59.91 -49.4 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.569 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 37.6 t -56.85 -34.44 67.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.795 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -51.48 68.62 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.769 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.422 ' CD2' HG12 ' C' ' 15' ' ' VAL . 3.0 mt -62.76 -44.21 96.78 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 8.1 mt -55.17 -40.9 71.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.807 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -61.9 -52.22 64.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.659 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.463 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 0.8 OUTLIER -61.15 -48.84 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.313 0.578 . . . . 0.0 110.077 179.377 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.432 HG11 ' CG2' ' B' ' 86' ' ' ILE . 52.2 t -58.39 -36.17 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.711 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 74.5 mt-30 -89.14 -9.93 49.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -62.1 134.68 56.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.831 0.348 . . . . 0.0 110.499 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -58.48 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.411 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.88 -50.1 75.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 111.039 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.1 t80 -55.77 -48.96 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.732 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.87 -38.17 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . 0.46 ' O ' HG13 ' B' ' 127' ' ' ILE . 60.0 m-20 -66.56 -51.22 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.52 -49.15 75.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.39 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.454 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 12.0 t80 -58.65 -39.13 79.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.013 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -38.18 86.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.451 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.496 HG12 ' HB3' ' D' ' 123' ' ' ASN . 20.7 mt -62.32 -49.71 82.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.743 ' O ' ' HB ' ' B' ' 132' ' ' THR . 13.2 t-80 -65.06 -30.25 71.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.156 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -64.72 -61.31 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.12 -51.76 54.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 36.7 mt -53.87 -39.1 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.282 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.743 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.3 OUTLIER -63.81 -46.65 84.18 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.202 0.525 . . . . 0.0 109.603 178.672 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.487 ' CG2' ' CD1' ' B' ' 83' ' ' ILE . 42.5 t -52.59 -48.19 47.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.68 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -31.04 72.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.983 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 135' ' ' MET . . . . . 0.412 ' HG3' ' HG2' ' A' ' 61' ' ' LYS . 23.9 ttm -57.7 -61.74 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.926 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 -179.886 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.764 0.316 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -64.06 -58.07 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.733 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.467 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.1 tmtt? -58.4 -42.57 87.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.528 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -45.2 95.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.139 0.495 . . . . 0.0 109.682 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -66.69 -33.17 75.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.595 178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.74 -55.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.573 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' C' ' 9' ' ' LYS . 19.7 mt -55.16 -45.4 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.042 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -28.31 68.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.593 178.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.422 HG12 ' CD2' ' B' ' 112' ' ' LEU . 2.2 t -74.24 -37.75 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.99 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.406 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 8.3 mt -64.09 -40.17 95.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -70.23 -42.0 72.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.56 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -64.28 -54.16 37.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.461 ' CD2' HG13 ' B' ' 109' ' ' ILE . 62.3 mt -53.89 -57.46 10.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -30.04 60.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.76 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.58 -44.89 91.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.913 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -62.93 -39.95 96.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.788 0.328 . . . . 0.0 110.661 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 27.3 mt -60.11 -50.45 73.63 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -28.35 68.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.131 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.6 -31.98 28.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.677 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.87 -29.65 29.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.229 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.99 19.82 3.9 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.695 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -113.39 82.32 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.955 0.407 . . . . 0.0 110.115 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.2 30.26 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.841 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 20.5 m -102.97 -40.71 6.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.769 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -85.98 -25.22 26.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.36 -37.76 38.84 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.352 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -65.29 -32.84 74.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.164 0.507 . . . . 0.0 110.028 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -70.84 -45.62 64.19 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' C' ' 35' ' ' LEU . 1.4 mt -59.33 -32.71 70.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.149 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 48.8 m -75.67 -32.1 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.726 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.76 -48.23 64.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.405 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.442 ' HB2' ' CD2' ' B' ' 84' ' ' LEU . 3.8 t80 -68.08 -46.05 72.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.851 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.464 ' CZ ' ' NZ ' ' C' ' 43' ' ' LYS . 21.5 t80 -53.86 -53.42 52.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.113 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.0 -50.83 72.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 89.6 m -54.52 -36.97 64.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.466 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 3.4 mt -67.99 -29.53 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.166 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.464 ' NZ ' ' CZ ' ' C' ' 39' ' ' TYR . 0.0 OUTLIER -71.29 -32.65 68.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.531 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 30.8 m -53.22 132.41 51.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.223 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.66 -32.16 12.27 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.529 2.152 . . . . 0.0 112.126 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.412 HD13 HG12 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -64.53 -55.3 21.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.116 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.434 ' CE1' ' HA ' ' B' ' 125' ' ' PHE . 11.7 t80 -55.81 -42.78 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.314 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -41.86 75.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.704 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.92 -41.52 96.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.479 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 9.4 mt -59.05 -46.3 91.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.899 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.14 -36.61 83.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.426 179.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.1 m -53.99 -50.26 66.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.179 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -44.93 95.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.906 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -33.9 71.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.072 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -37.61 85.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.099 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -60.38 -50.36 73.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.069 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.441 ' CG2' ' CG2' ' D' ' 131' ' ' ILE . 56.5 mt -59.91 -34.71 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.118 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -57.81 -43.84 85.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.062 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -63.32 -40.19 96.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.24 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mt -53.79 -47.04 71.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.764 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.878 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.469 ' O ' ' HB3' ' D' ' 84' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.522 -0.13 0 CA-C-O 120.821 0.343 . . . . 0.0 110.837 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.508 HD13 ' HG3' ' A' ' 34' ' ' LYS . 31.3 tp 74.87 -51.44 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.721 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 61.37 112.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.54 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 1.0 OUTLIER -55.22 -25.74 17.29 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.071 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.69 -46.17 86.69 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.359 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.12 -34.63 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.84 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' D' ' 93' ' ' LEU . 0.1 OUTLIER -72.11 -29.69 64.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.233 179.401 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.54 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 42.3 t80 -72.57 -50.19 27.21 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.107 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -61.3 -31.09 70.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.619 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 92' ' ' SER . . . . . 0.407 ' CB ' ' HG2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -64.1 -51.62 63.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.758 179.467 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.8 OUTLIER -55.81 -37.81 69.15 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -59.35 -41.79 90.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.6 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.58 -53.63 26.63 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.425 ' HA ' ' HB ' ' D' ' 99' ' ' THR . 9.5 mt -51.03 -41.05 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.81 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . 0.438 ' HG3' HG21 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -60.46 -53.16 60.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.039 179.693 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -80.03 -2.97 46.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.02 0.438 . . . . 0.0 110.48 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 99' ' ' THR . . . . . 0.425 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.6 m -97.1 -33.61 11.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.618 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.414 ' CD1' HD21 ' A' ' 19' ' ' LEU . 13.5 mt -87.16 -48.95 7.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.852 0.358 . . . . 0.0 110.433 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.12 35.8 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.759 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.2 OUTLIER -98.65 19.05 15.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.654 179.623 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 27.2 t 66.21 -70.92 0.1 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' D' ' 105' ' ' SER . 0.0 OUTLIER -61.74 -30.15 70.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.061 0.458 . . . . 0.0 109.944 179.595 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' D' ' 104' ' ' GLN . 0.6 OUTLIER -70.46 -39.91 73.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.974 179.226 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -33.62 75.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.165 0.507 . . . . 0.0 109.803 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.57 -42.89 73.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.851 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . 0.424 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 17.1 m-20 -70.94 -40.76 71.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.438 HG21 ' HG3' ' D' ' 97' ' ' GLN . 4.9 mt -61.75 -49.21 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.263 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 110' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' D' ' 113' ' ' LEU . 16.1 m -55.98 -36.12 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.061 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -51.33 70.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.229 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.24 -42.61 95.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' D' ' 110' ' ' SER . 3.9 mt -57.43 -49.88 74.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.631 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.99 -42.47 98.46 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.261 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.455 ' O ' ' CG ' ' D' ' 121' ' ' PHE . 3.9 mp -61.88 -41.42 97.85 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.456 ' CG1' HG22 ' D' ' 86' ' ' ILE . 86.3 t -62.21 -53.22 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.407 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.0 OUTLIER -65.93 -19.28 65.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.079 -179.318 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.64 127.83 26.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.731 0.3 . . . . 0.0 110.8 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -56.87 -58.77 6.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.602 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.99 -46.22 82.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.937 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.455 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 8.4 t80 -58.97 -56.07 27.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.68 -31.83 58.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.496 ' HB3' HG12 ' B' ' 127' ' ' ILE . 0.6 OUTLIER -61.26 -51.45 68.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.659 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . 0.456 ' HA ' ' CD1' ' D' ' 127' ' ' ILE . . . -64.08 -49.2 73.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.994 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.457 ' CG ' HD11 ' D' ' 86' ' ' ILE . 39.5 t80 -57.85 -34.67 69.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -41.19 80.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.469 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 7.7 mt -59.16 -49.9 81.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.987 0.423 . . . . 0.0 111.003 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.584 ' O ' ' HB ' ' D' ' 132' ' ' THR . 13.1 t-80 -64.32 -46.19 84.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.093 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . 0.422 ' OD1' ' CE1' ' D' ' 125' ' ' PHE . 1.7 m-80 -55.62 -60.28 3.66 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.04 71.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . 0.441 ' CG2' ' CG2' ' C' ' 57' ' ' ILE . 93.4 mt -58.04 -47.75 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.283 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.584 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -56.92 -45.28 82.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.222 0.534 . . . . 0.0 109.906 179.413 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' D' ' 129' ' ' ASN . 92.5 t -53.71 -50.9 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.379 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -30.86 71.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.24 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 29.5 ttm . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.844 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.774 0.321 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.01 -45.77 73.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 11.7 tttm -62.55 -48.1 80.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -38.2 84.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 32.3 tp60 -69.25 -38.28 78.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 t -59.24 -49.37 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.023 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.529 ' HB3' ' CE1' ' A' ' 39' ' ' TYR . 9.2 mt -56.96 -51.86 67.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.613 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -64.68 -28.3 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.917 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' D' ' 108' ' ' ASP . 8.3 t -73.38 -36.84 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.994 179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.39 -43.02 95.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.08 -43.57 74.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.724 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -61.2 -54.48 43.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.206 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' CD2' HG13 ' D' ' 109' ' ' ILE . 80.8 mt -54.35 -57.27 11.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.035 0.445 . . . . 0.0 110.963 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -30.15 47.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.062 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.88 -45.82 79.9 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.156 -1.021 . . . . 0.0 111.405 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HB2' HD11 ' D' ' 100' ' ' LEU . 8.1 mmtt -58.72 -38.9 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.603 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 19.7 mt -64.93 -47.27 78.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.276 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -58.49 -27.52 64.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.146 179.2 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -82.93 -35.61 25.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.134 0.493 . . . . 0.0 110.37 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.74 -31.26 46.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.49 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.91 21.07 4.69 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.522 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -113.01 80.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.053 0.454 . . . . 0.0 110.053 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.401 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -89.97 9.08 29.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.224 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 m -85.2 -43.73 13.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.43 ' HG2' ' CD2' ' D' ' 95' ' ' HIS . 3.7 mp0 -75.52 -25.95 57.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.659 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -55.54 -38.28 69.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.659 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -32.9 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.421 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -74.88 -38.97 61.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.335 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.4 mt -67.82 -34.69 77.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.484 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -77.1 -29.84 55.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.046 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.4 -44.22 52.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.643 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.426 ' CD1' HD11 ' A' ' 42' ' ' LEU . 6.5 t80 -73.55 -45.59 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.172 0.51 . . . . 0.0 110.408 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.529 ' CE1' ' HB3' ' A' ' 13' ' ' LEU . 1.1 t80 -57.1 -53.94 52.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.862 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -59.07 -50.14 75.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.502 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.5 m -56.08 -37.31 69.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.056 0.455 . . . . 0.0 110.087 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.513 ' HB3' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -62.9 -32.93 74.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.128 179.098 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HE2' ' CD1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -71.62 -33.83 69.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.653 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.93 135.12 8.36 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.345 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.51 -42.68 2.47 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.616 2.21 . . . . 0.0 112.141 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.424 HD13 HG12 ' C' ' 57' ' ' ILE . 0.2 OUTLIER -58.29 -55.56 33.37 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.159 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.431 ' CZ ' HD23 ' A' ' 51' ' ' LEU . 9.2 t80 -58.86 -39.82 82.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.972 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.21 -42.95 78.02 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.343 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.463 ' O ' HG22 ' A' ' 52' ' ' THR . 4.1 tt0 -61.03 -36.9 80.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.197 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.9 mt -64.62 -41.24 91.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.026 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.431 HD23 ' CZ ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -74.26 -45.17 49.51 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.497 -179.699 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 49' ' ' GLN . 2.8 t -54.24 -41.42 68.73 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.116 0.484 . . . . 0.0 110.008 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -49.72 71.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.759 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -34.61 71.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.285 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -62.82 -40.04 96.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.042 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -42.74 98.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.652 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.417 HG12 ' CD1' ' C' ' 46' ' ' LEU . 2.1 mt -60.38 -36.46 69.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.213 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -60.48 -44.23 96.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.884 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -59.49 -39.5 83.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.119 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.65 -45.48 85.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.507 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -58.47 -48.36 81.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.651 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.881 0.372 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.434 ' CD1' ' CG2' ' B' ' 132' ' ' THR . 0.4 OUTLIER -91.62 -167.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.623 179.813 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.46 HD23 ' HB2' ' C' ' 38' ' ' PHE . 22.1 tp -142.92 -38.44 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.53 108.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.717 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.53 HG13 HD23 ' B' ' 89' ' ' LEU . 0.8 OUTLIER -52.64 -26.92 11.03 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.701 -179.436 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -64.43 -43.02 95.64 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.554 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . 0.403 ' HB3' ' NZ ' ' C' ' 34' ' ' LYS . 0.9 OUTLIER -80.51 -35.63 34.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.9 178.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.53 HD23 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.01 -31.43 66.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.296 179.475 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.466 ' CB ' ' O ' ' B' ' 86' ' ' ILE . 13.3 t80 -72.85 -50.47 23.8 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.076 0.465 . . . . 0.0 110.196 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -30.95 71.05 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' SER . . . . . 0.427 ' OG ' ' HG3' ' C' ' 34' ' ' LYS . 35.6 m -63.61 -51.17 66.44 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.526 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 89' ' ' LEU . 1.0 OUTLIER -55.42 -38.13 68.56 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.505 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . 0.42 ' HE2' ' CE1' ' B' ' 90' ' ' PHE . 2.4 mptp? -59.13 -40.07 84.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.345 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.434 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.1 t60 -69.1 -51.97 33.16 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.427 HG22 HD11 ' B' ' 109' ' ' ILE . 10.7 mt -51.7 -40.51 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.911 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.452 ' HG3' HG23 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -61.01 -52.21 65.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.078 179.674 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -80.42 -4.68 54.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.999 0.428 . . . . 0.0 110.456 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' THR . . . . . 0.41 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.9 m -96.79 -31.84 12.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.418 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.41 ' CD1' HD21 ' C' ' 19' ' ' LEU . 43.5 mt -92.15 -52.87 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.235 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.65 35.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.756 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -97.84 21.6 10.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 29.3 t 66.32 -71.19 0.09 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -32.41 70.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.218 0.532 . . . . 0.0 110.13 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 0.6 OUTLIER -69.83 -38.79 76.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.544 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -36.87 85.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.094 0.473 . . . . 0.0 110.277 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.89 -40.51 79.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.463 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.432 ' HB3' HG12 ' C' ' 15' ' ' VAL . 13.2 m-20 -70.49 -43.43 69.73 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.452 HG23 ' HG3' ' B' ' 97' ' ' GLN . 5.6 mt -59.38 -49.26 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.504 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -57.05 -34.62 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.907 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -51.4 68.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.895 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.443 ' CD2' HG13 ' C' ' 15' ' ' VAL . 1.7 mt -63.58 -42.61 98.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.449 HD11 HG23 ' B' ' 109' ' ' ILE . 6.2 mt -56.45 -42.39 78.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.662 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -62.49 -52.13 64.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 2.2 mp -58.83 -50.74 72.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.241 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.452 ' CG1' HG21 ' B' ' 86' ' ' ILE . 58.8 t -55.79 -38.26 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.542 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 52.4 mt-30 -87.71 -8.15 56.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.894 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -63.41 135.28 56.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.707 0.289 . . . . 0.0 110.645 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -56.43 -58.86 6.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.397 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.12 -47.38 86.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.261 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 11.0 t80 -56.35 -56.29 22.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.952 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -54.61 -33.66 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . 0.412 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.7 OUTLIER -61.68 -51.11 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 0.0 110.667 179.706 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.421 ' HA ' ' CD1' ' B' ' 127' ' ' ILE . . . -60.15 -43.19 95.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.782 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.449 ' CZ ' HD21 ' B' ' 84' ' ' LEU . 2.2 t80 -63.12 -38.72 92.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -62.01 -37.82 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.343 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.46 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 11.8 mt -64.03 -49.74 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.689 ' O ' ' HB ' ' B' ' 132' ' ' THR . 27.8 t-80 -67.14 -44.07 80.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.126 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.22 -59.07 5.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.15 -51.91 64.56 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . 0.415 HG13 ' O ' ' B' ' 127' ' ' ILE . 82.3 mt -57.58 -43.52 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.2 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.689 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -59.46 -46.16 89.57 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.249 0.547 . . . . 0.0 109.589 179.057 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.413 ' N ' ' CG2' ' B' ' 132' ' ' THR . 97.8 t -54.84 -46.43 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.257 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . 0.438 ' CE1' ' HG2' ' D' ' 119' ' ' LYS . 3.2 m170 -63.47 -33.58 75.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.935 178.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.4 ttm -58.89 -41.44 87.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.395 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 29.9 t30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.739 179.852 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.83 0.348 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.64 -50.05 74.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.817 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.9 ttpt -59.76 -43.71 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.624 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -46.82 89.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.048 0.452 . . . . 0.0 109.914 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.4 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 31.0 tp60 -64.99 -35.99 82.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.535 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -59.24 -56.05 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.685 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' C' ' 9' ' ' LYS . 14.9 mt -54.57 -41.01 69.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.142 0.496 . . . . 0.0 110.178 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -28.28 65.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.818 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.443 HG13 ' CD2' ' B' ' 112' ' ' LEU . 3.9 t -73.74 -40.13 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.959 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.403 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 7.9 mt -64.51 -40.63 96.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.991 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.82 -41.41 75.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -66.6 -53.83 30.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 66.7 mt -54.61 -57.44 11.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 0.0 110.748 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . 0.413 ' HB3' ' CD1' ' C' ' 35' ' ' LEU . 0.5 OUTLIER -54.77 -31.96 59.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.803 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.58 -47.33 85.0 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.829 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -60.79 -34.9 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.6 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 21.2 mt -65.05 -49.92 68.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.95 0.405 . . . . 0.0 110.322 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -27.92 64.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.122 179.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.26 -31.98 29.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.512 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -32.06 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.157 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.06 21.12 4.62 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -117.54 82.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.419 . . . . 0.0 110.102 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.38 9.87 27.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.108 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 52.7 m -78.49 -52.01 9.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.458 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.434 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 3.5 mp0 -73.53 -24.97 60.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.498 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -52.1 -42.07 62.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.521 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.51 -32.91 67.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.288 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.427 ' HG3' ' OG ' ' B' ' 92' ' ' SER . 25.2 mmmt -70.75 -41.84 71.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.315 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' C' ' 35' ' ' LEU . 1.3 mt -66.21 -31.87 72.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.268 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -33.13 56.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.85 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.73 -45.41 58.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.459 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.461 ' CE1' ' CD1' ' C' ' 42' ' ' LEU . 2.5 t80 -68.88 -49.5 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.323 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.465 ' CZ ' ' HD3' ' C' ' 43' ' ' LYS . 38.4 t80 -53.87 -53.72 48.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.415 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 1.9 mt-10 -59.95 -43.96 94.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.782 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 85.1 m -59.91 -41.58 92.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.599 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.461 ' CD1' ' CE1' ' C' ' 38' ' ' PHE . 6.2 mt -61.18 -34.38 74.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.391 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.465 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.4 OUTLIER -72.38 -31.01 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.817 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 1.6 m -47.6 129.3 10.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.265 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 27.4 Cg_exo -60.41 -46.33 18.37 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.294 1.996 . . . . 0.0 111.679 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.417 ' CD1' HG12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -57.64 -53.43 58.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.346 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.463 ' CE1' ' CD2' ' C' ' 51' ' ' LEU . 19.8 t80 -56.92 -45.52 82.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.604 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.71 -34.65 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.99 -39.21 83.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.364 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 3.0 mt -63.53 -44.63 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.074 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.463 ' CD2' ' CE1' ' C' ' 47' ' ' PHE . 0.4 OUTLIER -69.46 -41.84 75.67 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.7 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -53.7 -48.83 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.014 0.435 . . . . 0.0 110.431 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.12 -51.69 68.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.198 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -30.84 70.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.42 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -39.54 94.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.019 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 30.4 t -65.77 -43.35 89.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.829 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.424 HG12 HD13 ' A' ' 46' ' ' LEU . 3.3 mt -60.35 -43.03 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.393 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -39.5 83.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.184 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -61.09 -40.68 94.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.271 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -48.72 78.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.489 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.033 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.441 ' O ' ' HB3' ' D' ' 84' ' ' LEU . 1.1 mm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.79 0.328 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' D' ' 83' ' ' ILE . 16.5 tp 70.25 -52.73 0.64 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.119 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.46 113.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 1.1 mt -53.65 -25.06 10.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.54 -45.9 85.15 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.285 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -78.57 -35.07 46.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.792 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.479 HD23 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.27 -30.81 65.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.468 179.553 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 12.1 t80 -72.46 -48.21 42.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 0.0 109.848 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -30.1 70.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.612 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 92' ' ' SER . . . . . 0.409 ' O ' ' CD1' ' D' ' 96' ' ' ILE . 0.3 OUTLIER -63.72 -53.47 50.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.408 179.373 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.689 ' HA ' HD11 ' D' ' 96' ' ' ILE . 0.6 OUTLIER -56.4 -35.89 68.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -58.93 -44.98 91.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.667 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . 0.43 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 2.2 t60 -66.68 -55.63 14.27 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.689 HD11 ' HA ' ' D' ' 93' ' ' LEU . 4.3 mt -50.67 -33.5 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.956 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' D' ' 93' ' ' LEU . 0.0 OUTLIER -65.32 -47.37 76.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.832 179.658 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -21.06 45.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.041 0.448 . . . . 0.0 110.478 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -84.67 -33.97 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.175 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.485 ' HB3' ' CB ' ' D' ' 105' ' ' SER . 48.9 mt -104.37 85.04 2.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.68 0.752 . . . . 0.0 109.238 178.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.1 36.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.409 -1.268 . . . . 0.0 111.16 -178.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.15 12.42 20.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.922 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 7.5 t 72.4 -68.29 0.23 Allowed 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.328 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' D' ' 107' ' ' GLU . 59.6 tp60 -60.93 -31.3 70.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.193 0.52 . . . . 0.0 110.072 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' D' ' 100' ' ' LEU . 16.4 m -73.32 -47.64 40.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.468 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . 0.496 ' HA ' HD13 ' D' ' 109' ' ' ILE . 5.7 pt20 -65.75 -30.74 71.45 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.715 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' D' ' 104' ' ' GLN . 4.1 pt-20 -72.87 -36.82 67.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . 0.426 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 15.9 m-20 -70.73 -40.99 72.43 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' D' ' 106' ' ' GLN . 5.9 mt -61.13 -49.44 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 114.942 -1.027 . . . . 0.0 109.652 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 110' ' ' SER . . . . . 0.407 ' HA ' ' CD1' ' D' ' 113' ' ' LEU . 1.2 m -54.55 -38.14 66.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.258 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . 0.406 ' HA ' ' HG2' ' D' ' 114' ' ' GLN . 6.4 tt -59.83 -44.75 93.89 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.826 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . 0.402 ' CD1' HD13 ' A' ' 19' ' ' LEU . 3.1 mt -63.8 -41.39 97.91 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' D' ' 93' ' ' LEU . 2.8 mt -60.0 -42.75 94.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.439 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . 0.537 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -61.8 -36.76 82.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.895 179.512 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.537 ' N ' ' HG3' ' D' ' 114' ' ' GLN . 5.1 mp -70.73 -47.46 59.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.453 0.644 . . . . 0.0 109.837 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.458 ' CG1' HG22 ' D' ' 86' ' ' ILE . 58.8 t -62.08 -37.4 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.573 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.452 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 52.1 mt-30 -84.59 -17.93 37.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.391 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.43 143.54 19.02 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.813 0.339 . . . . 0.0 110.528 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . 0.438 ' HG2' ' CE1' ' B' ' 134' ' ' HIS . 0.0 OUTLIER -67.52 -58.45 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.301 -179.508 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.29 -50.01 74.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.722 0.296 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 10.8 t80 -55.82 -51.65 66.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -51.94 -35.89 47.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.672 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.46 ' O ' HG13 ' D' ' 127' ' ' ILE . 21.3 m-20 -68.25 -50.27 55.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . 0.415 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.89 -49.45 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.043 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.459 ' CD1' HD13 ' D' ' 86' ' ' ILE . 15.3 t80 -63.45 -34.53 77.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -37.1 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.46 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 11.9 mt -64.73 -49.99 77.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.105 0.478 . . . . 0.0 110.519 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.758 ' O ' ' HB ' ' D' ' 132' ' ' THR . 42.0 t-80 -65.4 -41.39 93.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.837 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . 0.435 ' ND2' ' CG2' ' D' ' 83' ' ' ILE . 12.2 t-20 -55.26 -60.43 3.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.016 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.21 62.65 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . 0.427 HG13 ' O ' ' D' ' 127' ' ' ILE . 60.4 mt -57.81 -39.68 72.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.154 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.758 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -61.81 -45.24 94.72 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.411 ' N ' ' CG2' ' D' ' 132' ' ' THR . 98.6 t -54.44 -49.21 66.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.533 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -33.12 74.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.925 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.434 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.889 0.375 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -68.07 -56.59 8.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.748 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.7 -41.13 73.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.2 tpp -61.6 -47.69 84.31 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 15' ' ' VAL . 26.4 tp60 -61.93 -37.69 85.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.475 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 71.1 t -57.23 -50.31 77.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.341 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 11.9 mt -53.11 -50.82 63.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.35 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -65.66 -28.04 68.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.863 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' D' ' 112' ' ' LEU . 5.1 t -72.46 -36.19 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.044 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 12' ' ' VAL . 45.6 mt -64.05 -44.85 91.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.317 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.35 -38.51 74.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -54.68 32.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.914 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.467 HD23 HD11 ' D' ' 100' ' ' LEU . 75.3 mt -54.9 -55.38 31.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.049 0.452 . . . . 0.0 110.031 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' CA ' HD13 ' A' ' 35' ' ' LEU . 5.6 tmm_? -50.27 -42.45 52.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.038 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.09 -46.25 85.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.563 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 8.1 mmmt -63.0 -31.82 73.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 111.016 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 26.0 mt -71.95 -50.08 32.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.998 0.428 . . . . 0.0 110.791 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -26.49 66.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.224 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -82.92 -39.88 20.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.27 0.557 . . . . 0.0 109.973 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 1.6 mptt -70.87 -30.72 67.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.192 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.22 23.56 4.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -120.41 81.52 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.0 0.428 . . . . 0.0 110.151 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.2 10.18 30.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.399 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -80.78 -48.89 11.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.039 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.449 ' HG3' ' CD2' ' D' ' 95' ' ' HIS . 2.0 mm-40 -67.22 -24.82 65.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.894 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -44.68 -50.2 10.02 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.927 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -34.6 67.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.528 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -68.05 -39.77 82.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.235 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 1.9 mt -70.9 -41.25 71.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.049 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.6 p -69.87 -36.15 75.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.462 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' D' ' 84' ' ' LEU . . . -61.61 -45.99 91.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.517 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.462 ' HB2' ' CD2' ' D' ' 84' ' ' LEU . 4.4 t80 -70.66 -38.01 73.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.015 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.556 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 1.6 t80 -53.38 -53.43 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.125 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -52.28 56.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.418 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.6 m -56.95 -33.4 66.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.0 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.457 ' CD1' ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -67.44 -41.67 84.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.864 0.364 . . . . 0.0 110.41 179.507 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.444 ' HE3' ' CD1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -71.33 -24.16 62.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 t -45.73 119.0 4.46 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.349 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.42 -51.81 7.68 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.399 2.066 . . . . 0.0 111.796 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.435 ' CD1' ' CG1' ' C' ' 57' ' ' ILE . 0.8 OUTLIER -57.95 -46.11 85.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.179 179.63 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -57.86 -46.15 85.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.347 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -56.0 -36.11 67.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.241 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -64.38 -41.06 96.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.191 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.3 mt -59.76 -43.01 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.12 -39.67 78.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.292 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.1 m -55.09 -45.7 75.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.323 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -49.89 73.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.051 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.86 -32.21 69.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.441 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -65.64 -41.33 92.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.314 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -61.18 -44.03 97.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.075 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.405 ' CD1' HD13 ' C' ' 46' ' ' LEU . 16.8 mt -61.42 -35.13 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.047 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -42.48 98.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.883 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -39.03 90.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.98 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -42.04 84.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.374 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -61.12 -56.41 21.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.801 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.569 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.42 ' CD1' ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -94.06 -172.43 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.337 0.589 . . . . 0.0 111.259 -179.711 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.469 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 3.9 tp -172.31 52.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.241 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 84' ' ' LEU . 2.6 mm-40 -36.17 121.52 0.69 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.708 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' B' ' 90' ' ' PHE . 0.7 OUTLIER -49.28 -24.59 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.781 -178.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.38 -45.89 91.13 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -36.52 51.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.998 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.471 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.17 -28.75 63.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.491 179.697 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' B' ' 86' ' ' ILE . 12.0 t80 -72.53 -48.81 37.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.8 m -62.61 -29.36 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.456 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' B' ' 96' ' ' ILE . 74.6 m -63.4 -53.25 55.39 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.391 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.676 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.6 OUTLIER -57.03 -35.67 69.57 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.168 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . 0.474 ' HA ' ' HG2' ' B' ' 97' ' ' GLN . 31.8 mmtt -59.84 -38.8 83.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.608 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -72.36 -54.1 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' B' ' 93' ' ' LEU . 3.7 mt -53.33 -35.03 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.76 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.474 ' HG2' ' HA ' ' B' ' 94' ' ' LYS . 2.2 pt20 -70.69 -38.11 73.66 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.327 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.6 OUTLIER -82.39 -20.44 37.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.212 179.013 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -85.74 -40.03 16.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.893 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.43 ' HB3' ' CB ' ' B' ' 105' ' ' SER . 54.4 mt -96.97 85.82 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.47 35.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.464 -178.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.61 15.51 12.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.002 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.99 -67.47 0.21 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.786 0.326 . . . . 0.0 111.19 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -35.29 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.43 ' CB ' ' HB3' ' B' ' 100' ' ' LEU . 0.5 OUTLIER -67.94 -39.67 83.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.981 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.02 -35.48 80.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.976 0.417 . . . . 0.0 110.365 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -41.56 77.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.709 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.42 ' HB3' HG12 ' C' ' 15' ' ' VAL . 38.4 m-20 -70.24 -42.87 71.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.458 ' CG2' ' HB3' ' B' ' 97' ' ' GLN . 5.7 mt -59.34 -49.39 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.404 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 7.4 m -55.49 -35.92 66.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.879 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.401 ' CD2' HG21 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.39 -51.31 68.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.811 178.839 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.42 ' CD2' HG13 ' C' ' 15' ' ' VAL . 3.1 mt -62.47 -41.72 98.97 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.395 178.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 5.4 mt -58.16 -39.58 79.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.564 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.26 -51.89 67.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.008 0.433 . . . . 0.0 110.287 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.0 OUTLIER -61.37 -49.28 77.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.937 179.192 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.429 HG11 ' CG2' ' B' ' 86' ' ' ILE . 57.5 t -58.97 -34.92 54.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.457 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 44.1 mt-30 -89.27 -9.66 49.82 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.91 151.24 22.19 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.758 0.313 . . . . 0.0 110.677 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -58.83 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.343 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -44.91 94.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.786 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.452 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 9.2 t80 -55.93 -53.46 56.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.558 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -53.02 -42.31 65.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . 0.42 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.6 OUTLIER -60.16 -51.19 70.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.953 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.429 ' HA ' ' CD1' ' B' ' 127' ' ' ILE . . . -57.58 -49.06 77.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.078 0.466 . . . . 0.0 110.937 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.455 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 4.8 t80 -59.3 -36.8 76.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.26 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -65.01 -39.28 93.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.661 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.47 HG12 ' HB3' ' D' ' 123' ' ' ASN . 11.4 mt -60.33 -49.65 83.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 CA-C-O 121.149 0.5 . . . . 0.0 110.348 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.748 ' O ' ' HB ' ' B' ' 132' ' ' THR . 24.0 t-80 -60.24 -42.82 96.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.046 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.403 ' OD1' ' CE1' ' B' ' 125' ' ' PHE . 74.4 m-20 -54.99 -60.77 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.87 -51.65 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . 0.405 ' CG2' ' CG2' ' A' ' 57' ' ' ILE . 53.2 mt -59.12 -38.6 75.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.396 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.748 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -65.64 -47.39 75.72 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.294 0.568 . . . . 0.0 109.542 178.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.422 ' N ' ' CG2' ' B' ' 132' ' ' THR . 99.0 t -52.93 -51.1 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.459 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -63.36 -30.89 71.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.048 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 29.7 ttm -54.62 -60.03 3.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.985 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 23.5 p30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.016 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.808 0.337 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.85 -58.23 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -42.3 78.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.633 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -44.09 97.66 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.402 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 30.8 tp60 -67.87 -32.07 72.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.638 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . 0.401 HG21 ' CD2' ' B' ' 111' ' ' LEU . 55.4 t -61.53 -56.06 20.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.589 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.449 ' HB3' ' CE2' ' C' ' 39' ' ' TYR . 18.5 mt -55.86 -42.48 75.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.137 0.494 . . . . 0.0 109.895 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -28.5 67.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.433 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.42 HG12 ' HB3' ' B' ' 108' ' ' ASP . 2.0 t -74.11 -37.88 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.93 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 11.2 mt -64.3 -40.52 96.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.761 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -41.45 77.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.532 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -54.28 27.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.458 ' CD2' HG13 ' B' ' 109' ' ' ILE . 68.6 mt -52.56 -57.06 11.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 0.0 110.37 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . 0.435 ' HG2' ' HA ' ' C' ' 32' ' ' ASN . 5.4 tmm_? -50.9 -39.22 53.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.019 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.95 -45.38 95.21 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.98 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' C' ' 26' ' ' LYS . 1.9 mtpp -63.69 -32.56 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.658 0.266 . . . . 0.0 110.803 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 52.2 mt -67.57 -50.51 58.06 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.903 0.382 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -32.65 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.03 -28.34 29.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.311 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . 0.412 ' HB2' ' HA ' ' C' ' 23' ' ' LEU . 8.6 mttm -78.47 -32.55 48.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.151 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.26 14.85 8.73 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.486 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.93 84.92 2.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 110.048 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.87 27.26 3.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.005 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.1 m -102.1 -47.4 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.426 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -72.78 -23.3 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.531 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . 0.435 ' HA ' ' HG2' ' C' ' 20' ' ' ARG . 24.0 p-10 -48.58 -45.04 37.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -56.59 -32.24 65.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.126 0.488 . . . . 0.0 110.136 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.401 ' HA ' ' CD1' ' B' ' 84' ' ' LEU . 1.1 mmmm -73.31 -38.6 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.306 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.11 -32.04 69.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -77.06 -32.54 56.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.002 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.94 -44.66 30.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.521 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.449 ' CD1' HD23 ' B' ' 89' ' ' LEU . 2.5 t80 -67.04 -39.71 87.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.274 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' C' ' 13' ' ' LEU . 42.1 t80 -64.37 -53.16 52.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.192 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.86 -49.83 76.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.116 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' THR . . . . . 0.461 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 90.9 m -56.21 -42.74 77.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.835 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 7.1 mt -61.56 -33.97 74.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.15 0.5 . . . . 0.0 110.291 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.446 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 15.5 mtpt -79.29 -34.38 42.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.561 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -45.19 140.57 3.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.449 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.66 -43.51 1.32 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.609 2.206 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.405 HD13 ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.91 -52.8 64.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.357 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.461 ' CD2' ' CG2' ' C' ' 41' ' ' THR . 23.7 t80 -58.26 -44.94 88.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.365 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -56.43 -39.43 73.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -44.66 95.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 25.6 mt -56.78 -44.75 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.806 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.457 ' CD2' ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -67.66 -34.31 76.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.276 179.49 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.9 m -53.89 -50.26 66.74 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.908 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -46.15 91.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.646 178.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -32.73 69.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.884 178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -66.52 -36.88 83.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.887 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 39.9 t -60.61 -47.59 85.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.816 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.435 ' CG1' ' CD1' ' A' ' 46' ' ' LEU . 60.2 mt -60.17 -38.38 76.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.983 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -58.46 -37.51 75.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.014 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -40.55 90.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.092 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt -53.97 -49.73 68.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.673 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.857 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.503 ' CD1' ' CG2' ' D' ' 133' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.543 0.211 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.466 HD22 ' CZ ' ' D' ' 125' ' ' PHE . 48.6 tp -146.79 -45.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.878 0.371 . . . . 0.0 111.579 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.56 96.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -178.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.518 HG13 HD23 ' D' ' 89' ' ' LEU . 0.9 OUTLIER -49.63 -24.97 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.852 -178.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.29 -41.21 94.36 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.023 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -81.14 -36.12 30.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.797 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.518 HD23 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -71.98 -31.34 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.394 179.337 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.475 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 15.6 t80 -72.36 -49.93 30.43 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.128 0.489 . . . . 0.0 109.806 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 30.1 t -61.75 -29.31 70.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.369 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 92' ' ' SER . . . . . 0.404 ' HA ' ' OE1' ' A' ' 31' ' ' GLN . 32.0 t -63.06 -52.58 62.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.348 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.7 OUTLIER -56.99 -35.46 69.21 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.497 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -43.24 92.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.748 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . 0.449 ' CD2' ' HG3' ' A' ' 31' ' ' GLN . 1.8 t60 -68.04 -54.23 19.88 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' D' ' 93' ' ' LEU . 7.2 mt -50.72 -36.66 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.894 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . 0.469 ' HG3' HG23 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.85 -53.23 57.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.059 179.638 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -80.89 -2.34 47.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.538 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.5 m -99.06 -33.45 10.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.662 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.467 HD11 HD23 ' A' ' 19' ' ' LEU . 27.1 mt -89.1 -56.16 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.653 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 43.11 38.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.526 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.15 19.62 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.935 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.54 -71.09 0.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.73 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -34.85 74.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.222 0.534 . . . . 0.0 109.907 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 59.0 m -67.87 -38.24 82.84 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.324 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -38.62 89.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.063 0.459 . . . . 0.0 110.298 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.07 -40.58 87.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.703 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . 0.408 ' HB3' HG13 ' A' ' 15' ' ' VAL . 14.4 m-20 -70.41 -43.59 69.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.469 HG23 ' HG3' ' D' ' 97' ' ' GLN . 3.9 mt -58.55 -49.25 83.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.48 178.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 110' ' ' SER . . . . . 0.422 ' HA ' HD13 ' D' ' 113' ' ' LEU . 63.8 m -58.01 -34.65 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.101 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -51.17 70.07 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.913 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . 0.414 ' CD2' HG11 ' A' ' 15' ' ' VAL . 1.0 OUTLIER -64.41 -40.65 96.21 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.441 HD13 HG23 ' D' ' 109' ' ' ILE . 8.1 mt -58.73 -41.39 86.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.619 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . 0.412 ' HG2' ' CD1' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -65.97 -52.08 52.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.312 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.463 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 3.5 mp -56.3 -49.04 75.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.27 0.557 . . . . 0.0 109.947 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.459 ' CG1' HG22 ' D' ' 86' ' ' ILE . 87.8 t -57.82 -48.61 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.634 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 52.5 mt-30 -76.18 -8.73 57.68 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.5 135.51 57.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.72 0.295 . . . . 0.0 110.421 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -58.88 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.76 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.19 -50.03 74.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.522 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.9 t80 -55.79 -56.19 23.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.793 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -34.74 63.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.47 ' HB3' HG12 ' B' ' 127' ' ' ILE . 1.1 m120 -63.21 -51.56 65.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.005 0.431 . . . . 0.0 110.795 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . 0.414 ' HA ' ' CD1' ' D' ' 127' ' ' ILE . . . -57.0 -39.49 74.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.977 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.466 ' CG ' ' CD1' ' D' ' 86' ' ' ILE . 1.7 t80 -63.79 -39.68 94.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.768 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -62.62 -35.88 81.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.412 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.455 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 20.9 mt -64.7 -49.34 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.803 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.752 ' O ' ' HB ' ' D' ' 132' ' ' THR . 6.3 t-80 -67.07 -31.45 71.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.285 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -66.09 -61.24 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.83 60.0 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . 0.432 HD12 HG21 ' D' ' 131' ' ' ILE . 52.9 mt -53.99 -43.22 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.27 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.752 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.3 OUTLIER -59.33 -46.66 88.0 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.285 0.564 . . . . 0.0 109.563 178.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.503 ' CG2' ' CD1' ' D' ' 83' ' ' ILE . 47.4 t -56.08 -44.73 79.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.693 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -32.54 73.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.135 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 11.5 ttm . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.599 179.59 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.802 0.335 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.08 -55.11 28.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -60.76 -45.18 95.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.631 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -42.06 97.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.966 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -68.56 -35.38 77.34 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.83 -52.22 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.394 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.46 ' HB3' ' CE1' ' A' ' 39' ' ' TYR . 8.4 mt -55.4 -42.82 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.151 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -28.33 66.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.758 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 t -73.79 -38.52 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.988 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 15.7 mt -64.11 -42.01 97.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -43.25 74.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -65.13 -54.25 32.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.04 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.476 ' CD1' HG13 ' D' ' 109' ' ' ILE . 41.3 mt -51.89 -55.8 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.781 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -40.57 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.82 -42.34 96.51 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.745 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.8 mmtp -61.94 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.558 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.87 -50.58 70.35 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -55.83 -33.07 64.13 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.31 -27.41 29.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.495 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . 1.2 mmtp -80.89 -30.22 35.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.242 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.17 22.79 6.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.108 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.7 83.21 2.0 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.991 0.425 . . . . 0.0 109.887 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.04 36.0 1.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.253 0.549 . . . . 0.0 109.914 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -109.93 -44.22 3.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.724 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -70.67 -23.05 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.37 -45.83 18.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.36 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -57.02 -32.7 66.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.921 0.391 . . . . 0.0 110.362 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.46 ' O ' HD12 ' D' ' 84' ' ' LEU . 21.9 mmmt -72.16 -39.44 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 109.911 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 2.6 mt -70.41 -29.6 66.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.602 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -74.28 -34.85 63.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.968 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' D' ' 84' ' ' LEU . . . -74.5 -48.79 25.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.713 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.417 ' CD2' HD11 ' A' ' 42' ' ' LEU . 14.2 t80 -62.31 -50.98 69.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.338 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.485 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -56.53 -54.31 47.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.743 179.753 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.87 -49.77 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.46 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 52.7 m -58.28 -38.02 76.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.728 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.417 HD11 ' CD2' ' A' ' 38' ' ' PHE . 8.4 mt -64.06 -32.67 74.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -76.41 -32.02 58.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.93 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 t -51.5 137.42 31.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.328 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.72 -37.46 2.23 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.51 2.14 . . . . 0.0 112.172 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.432 ' CD1' HG12 ' C' ' 57' ' ' ILE . 0.2 OUTLIER -60.35 -53.86 52.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.147 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CD2' ' CG2' ' A' ' 41' ' ' THR . 10.3 t80 -58.84 -45.02 91.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.387 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -57.72 -36.06 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.324 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.51 -41.79 98.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.19 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.9 mt -59.05 -49.04 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.738 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -37.53 87.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.37 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.4 m -53.69 -50.0 66.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.936 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -41.98 88.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.534 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -60.4 -39.13 86.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.222 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -59.73 -39.82 85.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.127 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 t -61.03 -45.13 96.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.773 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.403 ' CD1' ' CD1' ' C' ' 46' ' ' LEU . 3.0 mt -60.08 -36.38 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.323 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -61.07 -41.18 96.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.929 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -62.12 -39.17 91.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.207 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -57.61 -48.02 80.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.685 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -64.72 -33.0 74.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.92 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.222 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.607 -179.865 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.934 0.397 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.431 ' CD1' HG23 ' B' ' 132' ' ' THR . 0.4 OUTLIER -92.2 -165.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.463 HD21 ' CZ ' ' B' ' 125' ' ' PHE . 28.9 tp -163.6 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.27 104.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.49 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.515 HG13 HD21 ' B' ' 89' ' ' LEU . 0.8 OUTLIER -49.61 -26.34 2.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.766 -179.346 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.27 -46.11 88.34 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.308 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.81 -35.29 51.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.483 . . . . 0.0 109.967 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.515 HD21 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -71.53 -30.38 65.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.471 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 11.0 t80 -72.6 -50.34 26.07 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.225 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 11.5 m -62.41 -29.34 70.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.527 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' SER . . . . . 0.406 ' HA ' ' OE1' ' C' ' 31' ' ' GLN . 56.3 m -64.07 -52.16 60.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.625 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 89' ' ' LEU . 0.7 OUTLIER -57.08 -36.18 70.26 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.521 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -59.21 -42.1 90.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.767 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.407 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.4 t60 -69.01 -53.35 20.97 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' B' ' 93' ' ' LEU . 8.3 mt -51.02 -38.08 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.902 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.487 ' HG3' HG22 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -61.82 -53.81 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.095 179.675 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.71 -4.89 53.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.409 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.8 m -95.5 -33.3 12.49 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.457 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.408 ' CD1' HD23 ' C' ' 19' ' ' LEU . 18.2 mt -89.31 -54.32 4.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.252 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.26 36.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.672 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' B' ' 105' ' ' SER . 0.5 OUTLIER -98.59 23.92 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.567 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.46 -72.87 0.07 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.75 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -59.87 -29.53 68.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.201 0.524 . . . . 0.0 109.936 179.18 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.432 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 0.4 OUTLIER -70.38 -42.32 71.89 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.375 179.305 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -35.0 76.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.049 0.452 . . . . 0.0 110.315 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.97 -41.41 74.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.741 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.425 ' HB3' HG12 ' C' ' 15' ' ' VAL . 43.0 m-20 -70.8 -43.0 69.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.644 0.735 . . . . 0.0 109.053 179.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.487 HG22 ' HG3' ' B' ' 97' ' ' GLN . 4.2 mt -60.33 -49.34 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.41 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' SER . . . . . 0.428 ' HA ' HD13 ' B' ' 113' ' ' LEU . 8.4 t -57.67 -33.72 68.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.934 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -51.55 68.74 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.821 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.415 ' CD2' HG13 ' C' ' 15' ' ' VAL . 1.9 mt -63.48 -43.72 96.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.335 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.455 HD13 HG22 ' B' ' 109' ' ' ILE . 6.3 mt -55.17 -41.88 72.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.787 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -61.75 -51.99 66.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.755 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.434 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.3 mp -60.25 -49.07 79.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.256 0.551 . . . . 0.0 110.264 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.447 ' CG1' HG22 ' B' ' 86' ' ' ILE . 48.2 t -57.36 -34.22 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.577 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.439 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 54.7 mt-30 -90.29 -10.86 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.75 141.7 52.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 110.528 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -58.76 5.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.274 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.94 -45.35 95.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.71 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 12.3 t80 -55.94 -56.02 25.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.757 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.94 -37.15 60.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.803 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . 0.414 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.6 OUTLIER -62.78 -51.4 67.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.68 88.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.784 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.469 ' HA ' ' CE1' ' C' ' 47' ' ' PHE . 4.4 t80 -60.77 -35.55 76.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -38.58 89.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.66 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.473 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 12.3 mt -63.41 -49.79 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.832 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.627 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.2 t-80 -66.59 -32.49 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.051 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -63.15 -60.68 3.1 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.39 -51.66 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 55.4 mt -53.31 -38.07 30.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.759 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.627 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.8 OUTLIER -63.09 -53.19 57.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.451 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.424 ' N ' HG23 ' B' ' 132' ' ' THR . 24.9 t -53.28 -49.98 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -30.97 72.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.265 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 28.4 ttm -58.63 -50.82 72.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.776 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.868 0.366 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.0 -53.97 21.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.0 OUTLIER -51.92 -40.98 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.3 tpt -61.59 -53.17 59.9 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -60.06 -31.56 70.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.771 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.44 -47.67 90.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.81 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.426 ' HB3' ' CE2' ' C' ' 39' ' ' TYR . 13.5 mt -58.38 -46.12 86.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.048 0.452 . . . . 0.0 110.007 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -27.86 68.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.665 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.425 HG12 ' HB3' ' B' ' 108' ' ' ASP . 4.8 t -73.01 -40.64 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.206 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 7.3 mt -64.06 -39.14 93.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.835 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.86 -39.15 69.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.675 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -66.61 -54.42 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.804 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 79.9 mt -53.63 -57.29 11.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.39 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.61 -37.65 41.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.816 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.41 -49.43 76.56 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.755 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -62.13 -34.21 75.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 0.0 110.601 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 33.6 mt -66.45 -50.46 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.501 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -26.77 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.123 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.29 -31.21 30.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.713 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.17 -34.99 32.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.355 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.24 15.92 5.87 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.634 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -111.17 81.74 1.49 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.93 0.395 . . . . 0.0 109.97 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.54 11.42 24.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.142 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 50.8 m -75.65 -39.52 57.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.409 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.407 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 0.9 OUTLIER -84.62 -18.52 35.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.555 179.458 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.77 -52.9 13.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.018 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.71 -35.11 68.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.438 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . 0.419 ' HE3' HD13 ' B' ' 84' ' ' LEU . 23.7 mmmt -64.46 -41.55 96.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.185 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' C' ' 35' ' ' LEU . 1.8 mt -70.22 -31.73 69.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.692 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -33.96 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.802 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.62 -43.52 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.39 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.445 ' CE1' ' CD1' ' C' ' 42' ' ' LEU . 2.4 t80 -70.71 -49.88 42.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.412 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.469 ' CZ ' ' HD3' ' C' ' 43' ' ' LYS . 28.9 t80 -57.49 -53.73 54.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.245 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -58.92 -49.22 78.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' THR . . . . . 0.428 HG22 ' CE1' ' B' ' 128' ' ' HIS . 93.7 m -57.77 -39.22 76.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.612 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.445 ' CD1' ' CE1' ' C' ' 38' ' ' PHE . 3.5 mt -61.72 -33.54 74.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.292 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.469 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -73.09 -32.38 64.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.911 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -47.04 130.89 9.09 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.372 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.11 -33.61 31.01 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.412 2.074 . . . . 0.0 111.979 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.403 ' CD1' ' CD1' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -63.94 -55.26 23.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.213 179.603 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.469 ' CE1' ' HA ' ' B' ' 125' ' ' PHE . 9.7 t80 -58.02 -42.85 86.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.32 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -56.15 -37.89 70.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.451 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -64.47 -42.01 96.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.226 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 7.0 mt -58.22 -44.77 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.881 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.43 HD22 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -67.94 -35.44 78.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.19 179.678 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 40.1 m -53.86 -49.73 67.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.003 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -46.51 90.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.661 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -32.14 70.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.18 179.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -64.88 -39.67 93.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.035 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 4.9 m -61.72 -43.85 98.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.671 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.432 HG12 ' CD1' ' A' ' 46' ' ' LEU . 5.3 mt -59.69 -39.62 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.938 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . 0.416 ' HA ' ' CG ' ' C' ' 61' ' ' LYS . 0.0 OUTLIER -62.6 -32.56 73.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.487 178.528 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -43.23 99.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.11 -65.01 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.917 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . 0.416 ' CG ' ' HA ' ' C' ' 58' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.209 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.449 HG21 ' HA ' ' D' ' 129' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 34' ' ' LYS . 2.2 pt? -162.51 -4.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.2 OUTLIER 60.52 141.7 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.96 0.41 . . . . 0.0 110.82 179.671 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.581 ' HA ' ' CD2' ' D' ' 89' ' ' LEU . 0.9 OUTLIER -70.36 -32.18 49.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.429 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.05 -42.16 99.65 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.581 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -75.78 -44.26 42.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.704 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.581 ' CD2' ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -72.68 -28.5 62.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.974 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' D' ' 86' ' ' ILE . 38.0 t80 -70.48 -41.29 72.91 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.8 -31.77 72.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.201 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -52.03 58.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.36 179.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.649 ' HA ' HD11 ' D' ' 96' ' ' ILE . 0.6 OUTLIER -56.61 -35.97 68.89 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.445 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -59.21 -45.75 90.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.641 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.14 -55.86 14.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.649 HD11 ' HA ' ' D' ' 93' ' ' LEU . 4.7 mt -50.92 -33.92 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.082 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' D' ' 93' ' ' LEU . 0.0 OUTLIER -64.71 -51.14 64.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.95 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -75.93 -21.98 56.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.063 0.459 . . . . 0.0 110.388 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.13 -34.07 26.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.026 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.484 ' HB3' ' CB ' ' D' ' 105' ' ' SER . 92.9 mt -106.37 81.08 1.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.04 36.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.116 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.34 11.43 14.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.879 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 103' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' D' ' 106' ' ' GLN . 0.2 OUTLIER 75.97 -67.52 0.23 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.176 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -31.44 71.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.145 0.498 . . . . 0.0 110.045 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.484 ' CB ' ' HB3' ' D' ' 100' ' ' LEU . 2.8 m -72.17 -44.95 62.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.968 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . 0.516 ' HA ' HD12 ' D' ' 109' ' ' ILE . 3.0 pt20 -63.52 -30.1 71.27 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.622 0.249 . . . . 0.0 110.585 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -39.25 64.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.975 0.417 . . . . 0.0 110.093 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -70.3 -41.88 72.76 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' D' ' 106' ' ' GLN . 4.1 mt -59.96 -49.55 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.372 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 110' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' D' ' 113' ' ' LEU . 2.3 t -54.89 -36.78 65.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.745 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.23 -50.89 69.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.981 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . 0.407 ' CD1' HD13 ' A' ' 19' ' ' LEU . 3.6 mt -61.41 -44.51 97.01 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.193 0.521 . . . . 0.0 109.659 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' D' ' 117' ' ' GLN . 2.8 mt -55.66 -43.13 76.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.598 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -61.51 -49.35 77.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.44 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.458 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 2.2 mp -60.69 -47.72 84.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.322 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.487 HG12 ' CG2' ' D' ' 86' ' ' ILE . 41.3 t -63.02 -38.67 82.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.488 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 25.4 mt-30 -81.07 -12.59 59.27 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.59 133.48 53.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.75 0.309 . . . . 0.0 110.749 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -58.79 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.462 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -50.25 74.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.5 t80 -56.96 -39.86 75.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.494 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -58.69 -47.96 82.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.114 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.412 ' O ' HG13 ' D' ' 127' ' ' ILE . 68.2 m-20 -61.59 -42.47 98.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.995 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.23 75.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.456 ' HB3' ' CD1' ' D' ' 86' ' ' ILE . 10.5 t80 -60.16 -36.71 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.673 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -62.81 -34.74 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.405 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.473 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 10.3 mt -69.38 -50.03 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.646 ' O ' ' HB ' ' D' ' 132' ' ' THR . 27.6 t-80 -63.5 -48.43 77.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.774 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . 0.449 ' HA ' HG21 ' D' ' 83' ' ' ILE . 1.3 t30 -55.57 -60.36 3.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.042 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.46 -52.07 66.78 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . 0.417 HD11 HG21 ' D' ' 131' ' ' ILE . 56.4 mt -58.63 -41.51 82.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.431 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.646 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -61.58 -48.57 80.38 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.152 0.501 . . . . 0.0 109.654 179.042 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' D' ' 132' ' ' THR . 47.1 t -57.86 -46.12 87.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.276 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -63.44 -32.28 73.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.039 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.165 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.549 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.817 0.341 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.91 -42.0 81.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.754 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -65.98 -44.9 83.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.4 -38.63 87.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -70.86 -35.24 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 t -60.46 -54.35 36.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.351 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.448 ' HB3' ' CE1' ' A' ' 39' ' ' TYR . 15.5 mt -57.93 -43.83 86.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.884 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -28.39 69.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.554 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.413 HG11 ' CD2' ' D' ' 112' ' ' LEU . 2.2 t -73.78 -39.47 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.802 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 23.3 mt -61.83 -39.69 92.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.647 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.36 -40.22 70.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -65.36 -54.71 24.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 77.2 mt -52.98 -53.75 45.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.075 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.13 -45.88 53.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.825 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.16 67.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.916 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HB3' ' CD2' ' D' ' 100' ' ' LEU . 1.1 mttm -66.76 -31.96 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.862 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 60.2 mt -67.41 -50.58 58.86 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.085 0.469 . . . . 0.0 110.543 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -26.5 68.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.908 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.79 -33.32 27.33 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HE2' ' CD2' ' D' ' 100' ' ' LEU . 0.8 OUTLIER -78.39 -33.52 48.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.491 -179.726 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.83 25.79 3.81 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.575 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -122.7 83.86 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.916 0.389 . . . . 0.0 109.999 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.05 13.2 23.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.562 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -78.59 -55.75 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.181 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.45 ' NE2' ' CD2' ' D' ' 95' ' ' HIS . 4.2 mp0 -67.48 -14.5 62.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.607 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -51.22 -45.63 61.97 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.736 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -57.5 -33.54 68.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.565 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HE3' HD12 ' D' ' 84' ' ' LEU . 22.3 mmmt -70.6 -35.68 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.398 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 2.9 mt -70.4 -36.63 74.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.371 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.4 p -73.14 -32.1 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.137 0.494 . . . . 0.0 109.907 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.424 ' HB2' HD13 ' D' ' 84' ' ' LEU . . . -75.17 -44.32 47.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.549 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.428 ' CD1' HD21 ' D' ' 89' ' ' LEU . 3.1 t80 -68.72 -47.29 66.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.286 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -56.3 -53.46 56.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.928 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -51.41 69.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 89.4 m -55.56 -39.57 70.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 mt -62.88 -35.44 80.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.547 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.435 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -72.37 -28.87 63.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.088 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.1 m -42.45 128.92 2.9 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.447 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.82 -58.64 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.571 2.181 . . . . 0.0 112.67 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -57.7 -34.3 69.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.468 ' N ' ' HG ' ' A' ' 46' ' ' LEU . 9.2 t80 -62.32 -47.81 82.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.105 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -55.89 -37.57 69.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.026 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.9 -41.1 97.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.352 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.401 HG12 ' CD2' ' C' ' 53' ' ' LEU . 2.4 mt -60.13 -45.71 95.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.715 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -64.09 -44.23 92.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.342 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.0 m -54.56 -39.58 67.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.0 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' CD2' HG12 ' C' ' 50' ' ' ILE . 0.9 OUTLIER -61.5 -50.43 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.012 178.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.73 -31.84 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.943 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -40.24 96.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.931 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.7 t -60.83 -48.82 80.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.687 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.441 ' CG2' ' CG2' ' B' ' 131' ' ' ILE . 67.4 mt -59.8 -34.93 57.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.923 178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -42.45 89.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.037 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -62.81 -40.74 98.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.945 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.53 -42.04 74.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.637 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -63.69 -50.52 68.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.6 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.853 0.359 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.416 ' CD1' ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -98.27 -159.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' C' ' 38' ' ' PHE . 25.1 tp -155.22 -36.87 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.04 104.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.508 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.519 ' O ' ' HB2' ' B' ' 90' ' ' PHE . 0.8 OUTLIER -49.88 -25.01 2.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.626 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.26 -48.38 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.069 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.4 -34.73 58.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.803 178.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.513 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -71.42 -29.04 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.453 179.387 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 8.2 t80 -72.39 -50.54 25.78 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.904 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.5 t -63.31 -27.2 69.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.484 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 55.8 m -65.33 -51.57 59.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.651 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 89' ' ' LEU . 0.8 OUTLIER -58.36 -38.33 77.01 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.564 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -59.39 -39.89 84.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.581 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.419 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.6 t60 -69.73 -53.52 18.07 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.48 HG23 HD12 ' B' ' 109' ' ' ILE . 9.4 mt -51.33 -39.69 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.041 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.412 ' CG ' HG23 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -62.51 -52.06 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.039 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -80.0 -4.45 52.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.503 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' THR . . . . . 0.404 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -96.66 -34.0 11.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.304 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.454 HD13 HD11 ' B' ' 109' ' ' ILE . 71.8 mt -91.62 -54.92 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.076 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.87 38.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.695 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.44 27.37 5.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.454 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 50.1 m 65.03 -73.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.597 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -60.39 -26.8 66.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.847 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.442 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 53.9 p -73.12 -50.65 21.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.199 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . 0.421 ' HA ' HD13 ' B' ' 109' ' ' ILE . 4.4 pt20 -62.46 -30.84 71.54 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' B' ' 104' ' ' GLN . 4.3 pt-20 -73.87 -39.73 63.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.371 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -71.23 -42.1 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.48 HD12 HG23 ' B' ' 96' ' ' ILE . 4.1 mt -60.13 -49.55 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.818 178.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 4.3 t -57.32 -37.33 72.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.546 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 7.6 tt -58.0 -48.1 81.04 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.972 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 mt -63.5 -43.59 96.8 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 3.2 mt -55.73 -43.95 77.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.442 179.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.18 -46.18 91.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.425 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 5.7 mp -61.81 -45.93 91.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.977 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.458 ' CG1' HG23 ' B' ' 86' ' ' ILE . 73.3 t -60.31 -46.37 95.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.571 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.458 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 52.1 mt-30 -74.57 -16.76 60.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . 0.476 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 50.1 t-20 -59.62 131.36 50.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.849 0.357 . . . . 0.0 110.385 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -54.42 -58.78 6.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.979 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.21 -50.41 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.399 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.476 ' HB3' ' HB3' ' B' ' 118' ' ' ASN . 11.7 t80 -58.23 -56.22 24.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.94 0.4 . . . . 0.0 110.522 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -55.48 -30.72 61.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.8 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . 0.518 ' HB3' HG12 ' D' ' 127' ' ' ILE . 71.0 m-20 -68.35 -51.13 47.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.533 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' B' ' 127' ' ' ILE . . . -59.32 -47.92 83.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.615 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.465 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 4.4 t80 -58.82 -34.94 72.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.636 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -65.35 -37.53 87.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.434 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.479 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 13.0 mt -62.98 -49.78 82.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.614 ' O ' ' HB ' ' B' ' 132' ' ' THR . 23.3 t-80 -63.49 -48.94 75.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.91 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -55.22 -60.2 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.931 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.17 -52.06 66.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.74 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . 0.446 HD11 HG22 ' B' ' 131' ' ' ILE . 68.9 mt -57.36 -46.7 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.21 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.614 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -57.12 -46.05 82.96 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.277 0.56 . . . . 0.0 109.664 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 90.1 t -56.42 -49.46 76.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.155 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -63.75 -31.02 72.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.341 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 27.7 ttm -56.35 -60.05 4.08 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 14.4 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.818 0.342 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.73 -54.03 48.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.704 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -60.98 -42.45 98.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.468 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.41 -44.83 96.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.142 0.496 . . . . 0.0 109.692 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' C' ' 14' ' ' GLN . 30.0 tp60 -66.56 -35.96 81.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.365 178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . 0.417 ' CG2' ' CD2' ' B' ' 115' ' ' LEU . 43.4 t -60.26 -43.4 93.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.475 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.497 ' HA ' HD13 ' C' ' 16' ' ' LEU . 7.2 mt -62.5 -52.73 62.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.887 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' C' ' 11' ' ' GLN . 0.0 OUTLIER -67.16 -27.68 67.49 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.656 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.458 HG22 ' O ' ' C' ' 11' ' ' GLN . 2.3 t -72.86 -37.05 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.858 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' C' ' 13' ' ' LEU . 9.7 mt -64.13 -46.96 81.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.749 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.4 -38.8 91.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.636 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -53.4 51.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.976 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.432 ' CD2' HG13 ' B' ' 109' ' ' ILE . 39.2 mt -51.98 -57.36 9.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . 0.426 ' HG3' ' HB2' ' C' ' 35' ' ' LEU . 0.0 OUTLIER -52.18 -37.47 54.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.875 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.45 -47.02 92.19 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.913 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -64.21 -31.7 73.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.733 0.302 . . . . 0.0 110.698 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 40.3 mt -68.21 -50.43 54.2 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.774 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -32.28 66.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -82.75 -27.66 30.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.153 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . 0.423 ' HB2' ' HA ' ' C' ' 23' ' ' LEU . 3.6 mmtp -77.27 -35.18 55.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.11 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.51 5.2 16.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -106.81 87.04 2.43 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.021 0.439 . . . . 0.0 110.146 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.45 14.62 14.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.026 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -84.01 -52.08 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.448 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.419 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 3.1 mp0 -72.57 -20.96 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.645 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -53.03 -45.36 67.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.93 -32.65 66.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.197 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -67.6 -45.14 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.258 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' C' ' 39' ' ' TYR . 2.0 mt -61.81 -37.67 85.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.437 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 22.8 p -71.46 -31.66 67.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.119 0.485 . . . . 0.0 109.911 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.39 -44.8 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.363 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.451 ' HB2' HD22 ' B' ' 84' ' ' LEU . 2.6 t80 -71.6 -44.72 63.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.146 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.544 ' HB2' ' O ' ' C' ' 35' ' ' LEU . 8.3 t80 -53.62 -53.22 54.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.003 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -52.12 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 87.2 m -54.51 -33.6 60.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.946 0.403 . . . . 0.0 110.794 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.46 ' HB3' HD21 ' C' ' 13' ' ' LEU . 0.3 OUTLIER -68.52 -37.6 80.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.462 ' HE3' ' CE1' ' C' ' 39' ' ' TYR . 0.0 OUTLIER -69.44 -27.91 65.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.805 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -49.13 124.38 13.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.261 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.62 -37.65 36.06 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.405 2.07 . . . . 0.0 112.052 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.435 ' CD1' ' CG1' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -63.94 -47.89 78.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.1 179.532 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' B' ' 125' ' ' PHE . 20.9 t80 -57.75 -47.54 82.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.416 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -55.92 -37.41 68.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.372 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -61.91 -42.88 99.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.256 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . 0.41 HG12 ' CD2' ' A' ' 53' ' ' LEU . 2.7 mt -58.46 -46.5 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.544 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.415 HD22 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -65.83 -35.62 81.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.169 179.52 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 28.3 m -53.59 -52.16 60.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.101 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . 0.401 ' CD2' HG12 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -59.35 -44.02 92.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.783 178.836 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.31 -35.54 75.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.305 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.38 -41.67 98.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.189 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -46.41 90.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.185 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.411 ' CD1' ' CD1' ' A' ' 46' ' ' LEU . 34.8 mt -59.63 -37.68 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.218 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . 0.41 ' HA ' ' CD ' ' C' ' 61' ' ' LYS . 16.1 tppt? -61.85 -37.73 85.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.824 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -38.26 88.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.561 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.95 -60.24 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.477 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . 0.41 ' CD ' ' HA ' ' C' ' 58' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.414 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.433 ' CD1' HG23 ' D' ' 132' ' ' THR . 1.0 OUTLIER . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 120.967 0.413 . . . . 0.0 111.142 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.437 HD12 ' HE3' ' A' ' 34' ' ' LYS . 48.0 tp -129.26 -39.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.21 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 57.33 107.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.347 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.49 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 0.8 OUTLIER -49.82 -25.8 2.43 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.731 -179.399 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.45 -47.47 81.73 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.358 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -77.13 -34.56 56.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.22 -30.03 64.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.514 179.432 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.2 t80 -72.26 -48.16 44.71 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 97.4 p -63.62 -28.39 69.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.421 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 92' ' ' SER . . . . . 0.42 ' OG ' HD13 ' D' ' 96' ' ' ILE . 22.9 t -63.76 -53.12 55.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.637 ' HA ' HD12 ' D' ' 96' ' ' ILE . 0.5 OUTLIER -58.62 -34.81 71.57 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.338 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -59.66 -42.18 92.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.602 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . 0.45 ' CD2' ' NE2' ' A' ' 31' ' ' GLN . 1.7 t60 -68.78 -55.23 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' D' ' 93' ' ' LEU . 4.6 mt -52.95 -33.9 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.23 179.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . 0.403 ' HB3' ' O ' ' D' ' 93' ' ' LEU . 0.1 OUTLIER -66.66 -49.11 67.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.78 -21.27 57.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.37 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.05 -37.02 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.918 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.439 ' CB ' ' HB3' ' D' ' 105' ' ' SER . 21.5 mt -107.55 75.5 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -95.26 37.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.26 -178.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.07 28.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.916 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 22.6 t 66.96 -70.59 0.11 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.728 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -34.81 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.05 0.452 . . . . 0.0 110.483 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.439 ' HB3' ' CB ' ' D' ' 100' ' ' LEU . 1.3 m -67.39 -43.44 81.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -34.46 73.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.03 -42.55 72.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.065 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . 0.403 ' HB3' HG13 ' A' ' 15' ' ' VAL . 47.0 m-20 -70.46 -42.26 71.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.653 0.74 . . . . 0.0 109.097 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.44 HG13 ' CD2' ' A' ' 19' ' ' LEU . 4.2 mt -61.04 -49.54 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.681 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 1.1 m -57.59 -33.16 67.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.689 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -51.56 68.93 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.873 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . 0.413 ' CD2' HG11 ' A' ' 15' ' ' VAL . 2.0 mt -63.48 -42.29 98.56 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.409 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.428 ' CD2' ' HB2' ' D' ' 93' ' ' LEU . 5.6 mt -57.54 -41.41 80.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.777 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.8 -50.08 73.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.954 0.407 . . . . 0.0 110.497 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.462 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 1.4 mp -60.97 -48.85 79.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.143 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.415 ' CG1' HG12 ' D' ' 86' ' ' ILE . 47.9 t -60.65 -40.37 84.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.563 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.436 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 44.4 mt-30 -82.21 -10.77 59.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.777 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.43 140.36 58.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 110.55 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -64.77 -58.28 6.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.306 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.35 -50.08 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.885 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.2 t80 -55.68 -47.31 76.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.451 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.12 -42.7 69.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.426 ' HB3' HG12 ' B' ' 127' ' ' ILE . 65.7 m-80 -60.48 -49.52 77.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.0 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . 0.434 ' HA ' ' CD1' ' D' ' 127' ' ' ILE . . . -56.7 -48.21 78.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.045 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.439 ' CD1' HD12 ' D' ' 86' ' ' ILE . 10.5 t80 -59.02 -36.49 75.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -64.91 -36.58 84.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.518 HG12 ' HB3' ' B' ' 123' ' ' ASN . 15.5 mt -63.4 -49.72 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 0.0 110.58 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.64 ' O ' ' HB ' ' D' ' 132' ' ' THR . 17.5 t-80 -66.41 -40.83 89.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.077 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -60.88 2.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.41 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . . . . . . . . . 46.3 mt -53.83 -35.8 28.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.3 -50.82 70.13 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.154 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.403 ' N ' HG23 ' D' ' 132' ' ' THR . 14.4 t -52.94 -50.76 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.037 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -30.8 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.734 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 29.1 ttm . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.848 0.356 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.08 -49.08 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.711 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -60.1 -44.46 94.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.605 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.8 mmt -61.4 -44.47 97.09 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.403 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 32.7 tp60 -65.81 -37.38 86.1 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -59.56 -51.47 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.383 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 7.7 mt -57.49 -45.25 85.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.099 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -28.24 68.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.666 178.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.413 HG11 ' CD2' ' D' ' 112' ' ' LEU . 2.6 t -72.7 -39.93 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.843 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 34.1 mt -63.28 -40.08 96.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.918 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -69.38 -44.11 72.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -63.59 -54.14 40.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 68.8 mt -52.16 -57.33 9.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.967 0.413 . . . . 0.0 110.604 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG2' ' ND2' ' A' ' 32' ' ' ASN . 3.6 tmm_? -50.03 -37.81 34.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.015 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.12 -48.23 87.16 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.168 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -61.37 -35.71 78.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.716 0.293 . . . . 0.0 111.005 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 24.6 mt -65.09 -50.45 66.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.681 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.86 -27.02 66.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.173 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.58 -33.26 28.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.578 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -81.6 -30.19 33.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.364 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.63 23.56 4.34 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.411 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -114.74 80.56 1.43 Allowed 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.013 0.435 . . . . 0.0 110.028 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.69 23.58 6.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.209 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -92.99 -44.47 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.677 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.4 ' CD ' ' CD2' ' D' ' 95' ' ' HIS . 4.4 mp0 -72.83 -23.39 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.4 ' ND2' ' HG2' ' A' ' 20' ' ' ARG . 4.1 m120 -46.86 -47.61 21.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.696 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.77 -33.13 66.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.953 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HA ' ' CD1' ' D' ' 84' ' ' LEU . 3.2 mmmm -75.12 -39.52 60.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.954 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.533 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 2.8 mt -68.64 -32.59 72.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.228 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -33.89 62.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.103 0.478 . . . . 0.0 109.889 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' D' ' 84' ' ' LEU . . . -74.39 -48.14 29.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.507 179.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.492 ' CD1' HD21 ' D' ' 89' ' ' LEU . 45.1 t80 -62.26 -51.89 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.33 0.586 . . . . 0.0 109.889 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.533 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.86 -53.87 49.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.778 179.607 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -57.83 -47.64 82.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.845 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.46 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 78.4 m -58.37 -36.39 73.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.577 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 38' ' ' PHE . 7.6 mt -65.65 -34.01 77.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.297 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -80.08 -27.29 39.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.325 -179.747 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.86 138.47 2.31 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.509 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.04 -48.86 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.521 2.147 . . . . 0.0 112.36 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.424 ' CD1' ' CG1' ' C' ' 57' ' ' ILE . 2.7 tp -63.52 -46.06 87.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.989 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.495 ' CE1' ' CD2' ' A' ' 51' ' ' LEU . 22.5 t80 -57.58 -46.84 83.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.35 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -55.84 -39.25 71.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.285 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.29 96.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.37 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.0 mt -59.84 -42.77 90.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.738 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.495 ' CD2' ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -69.45 -37.59 77.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.471 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 83.9 m -53.71 -48.9 69.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.185 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.78 -51.06 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.037 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -31.1 68.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.599 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -66.72 -39.5 88.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.219 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -39.52 93.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.845 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.46 HG12 ' CD1' ' C' ' 46' ' ' LEU . 1.5 mt -62.5 -41.0 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.273 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -59.19 -43.83 92.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.331 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -58.98 -42.42 89.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.385 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.64 -41.43 86.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.781 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 mtmm -63.96 -44.6 92.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.891 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.806 0.336 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.417 ' CD1' ' CG2' ' B' ' 132' ' ' THR . 1.2 mm -88.22 -172.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.355 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.411 ' CD2' HD21 ' B' ' 89' ' ' LEU . 13.6 tp -153.32 -36.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.502 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.58 108.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' B' ' 90' ' ' PHE . 0.9 OUTLIER -52.81 -26.17 10.2 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.149 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.75 -49.12 76.29 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.074 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -34.07 60.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.258 0.551 . . . . 0.0 109.694 178.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.514 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -71.23 -29.24 64.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.397 179.298 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.545 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 8.8 t80 -72.23 -50.48 27.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.028 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 1.1 m -63.74 -27.08 68.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.492 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.0 m -65.52 -50.82 63.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.666 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 89' ' ' LEU . 0.8 OUTLIER -59.69 -38.93 82.92 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.676 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . 0.419 ' HE3' ' CE1' ' B' ' 90' ' ' PHE . 1.1 mptm? -59.4 -38.65 81.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.578 179.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' B' ' 95' ' ' HIS . 0.6 OUTLIER -70.26 -49.14 52.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.161 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.437 ' HA ' ' HB ' ' B' ' 99' ' ' THR . 17.3 mt -53.52 -45.51 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.117 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.419 ' HG3' ' CG2' ' B' ' 109' ' ' ILE . 1.4 tt0 -58.62 -49.1 78.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.021 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -1.08 48.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 110.586 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' THR . . . . . 0.437 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.8 m -101.23 -31.52 10.96 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.453 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.402 HD13 HD23 ' C' ' 19' ' ' LEU . 53.3 mt -92.07 -50.25 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.191 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.52 39.46 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.522 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.6 OUTLIER -101.16 20.1 16.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 179.731 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.2 t 65.73 -71.69 0.08 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.796 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' B' ' 102' ' ' ASP . 65.6 tp60 -59.95 -30.6 69.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.171 0.51 . . . . 0.0 110.048 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 2.5 m -70.31 -39.95 74.49 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.534 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -33.91 76.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.015 0.436 . . . . 0.0 110.244 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -40.96 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.499 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.409 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 50.6 m-20 -70.61 -43.65 68.88 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.456 HG13 ' CD2' ' C' ' 19' ' ' LEU . 5.4 mt -59.43 -49.2 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.369 178.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 1.1 m -56.69 -34.29 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.07 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -51.29 70.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.994 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.423 ' CD2' HG11 ' C' ' 15' ' ' VAL . 1.3 mt -63.66 -40.62 97.3 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.483 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 5.4 mt -58.46 -43.97 89.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.728 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' B' ' 117' ' ' GLN . 4.9 mt-30 -61.01 -47.44 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.992 0.425 . . . . 0.0 110.693 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.44 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.5 mp -61.24 -46.15 91.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.728 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.455 ' CG1' HG23 ' B' ' 86' ' ' ILE . 84.8 t -59.95 -47.58 91.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.215 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.504 ' HG2' ' CZ ' ' B' ' 90' ' ' PHE . 5.7 mt-30 -71.65 -23.63 61.72 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . 0.524 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 19.1 t-20 -51.48 127.46 20.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -52.93 -59.04 5.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.143 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.52 -50.42 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.117 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.524 ' HB3' ' HB3' ' B' ' 118' ' ' ASN . 11.3 t80 -56.01 -51.19 68.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -39.64 60.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . 0.441 ' O ' HG13 ' B' ' 127' ' ' ILE . 4.0 m-20 -67.37 -46.89 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.58 -48.97 76.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.505 ' HA ' ' CE1' ' C' ' 47' ' ' PHE . 13.2 t80 -60.72 -36.76 79.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.055 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -38.98 91.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.542 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.458 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 6.8 mt -64.7 -49.3 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.996 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.61 ' O ' ' HB ' ' B' ' 132' ' ' THR . 15.4 t-80 -67.34 -30.61 70.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.181 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -64.27 -60.83 2.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.06 -52.1 46.31 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 50.2 mt -53.59 -36.8 29.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.524 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.61 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.9 OUTLIER -61.64 -52.42 64.44 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.807 0.813 . . . . 0.0 108.823 178.062 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 15.5 t -54.53 -47.89 70.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.449 -1.251 . . . . 0.0 110.648 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -63.81 -32.6 74.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.534 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 29.7 ttm -57.84 -56.79 17.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.814 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.97 -179.923 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.794 0.33 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.05 -49.05 63.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -58.76 -44.31 90.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.713 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.7 tpt -61.23 -39.25 89.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.995 0.426 . . . . 0.0 109.864 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.408 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 33.2 tp60 -72.41 -32.77 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.528 178.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.45 -55.11 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.467 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.449 ' HB3' ' CE2' ' C' ' 39' ' ' TYR . 16.5 mt -57.95 -44.44 86.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.929 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -28.38 68.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.643 178.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.423 HG11 ' CD2' ' B' ' 112' ' ' LEU . 2.2 t -72.93 -40.51 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.833 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.23 -40.0 94.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.37 -43.37 73.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.776 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -54.4 39.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.456 ' CD2' HG13 ' B' ' 109' ' ' ILE . 79.5 mt -52.26 -53.92 37.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 110.571 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . 0.401 ' CB ' HD13 ' C' ' 35' ' ' LEU . 3.2 tpt85 -49.91 -41.69 46.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.667 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.3 -48.42 83.7 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.029 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -57.01 -38.53 73.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.017 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 23.6 mt -64.41 -50.53 67.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.781 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -26.81 62.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.413 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.43 -33.24 28.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.616 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -81.81 -32.44 31.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.418 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.39 12.94 7.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.659 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 2.9 m-20 -103.87 79.66 1.67 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 110.097 179.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.23 17.23 8.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.15 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 51.6 m -87.31 -51.28 6.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.494 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.404 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 2.9 mp0 -72.21 -24.74 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.604 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -46.75 -47.6 20.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.018 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.86 -32.47 65.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.98 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -70.18 -39.33 75.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.114 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.401 HD13 ' CB ' ' C' ' 20' ' ' ARG . 3.3 mt -65.63 -33.15 75.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.387 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.15 -33.95 56.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.909 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.47 -42.35 65.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.515 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.455 ' CD1' HD21 ' B' ' 89' ' ' LEU . 3.2 t80 -73.63 -38.94 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.549 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.471 ' CZ ' ' HD3' ' C' ' 43' ' ' LYS . 28.4 t80 -66.06 -53.64 35.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.112 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.426 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 12.8 mt-10 -60.24 -45.34 93.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' THR . . . . . 0.422 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 87.8 m -56.41 -43.33 79.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.403 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mt -59.19 -37.04 76.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.041 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.471 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.5 OUTLIER -73.99 -29.03 61.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.883 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.08 142.02 4.23 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.15 -46.31 1.11 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.44 2.093 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 57' ' ' ILE . 3.2 mm? -57.91 -55.37 35.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.038 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.505 ' CE1' ' HA ' ' B' ' 125' ' ' PHE . 1.9 t80 -54.87 -47.64 73.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.857 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.61 -33.54 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -70.47 -37.78 74.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.576 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 31.5 mt -64.68 -42.54 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.012 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.442 HD23 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -68.38 -37.89 80.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.862 0.363 . . . . 0.0 110.17 179.634 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 62.8 m -53.95 -49.01 69.68 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -43.29 92.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.461 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -33.2 74.33 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.63 178.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.16 -40.7 94.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.801 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 14.4 t -60.85 -50.55 72.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.863 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.424 ' CG1' ' CD1' ' A' ' 46' ' ' LEU . 49.7 mt -59.91 -35.85 63.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.931 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -40.07 87.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.205 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -39.32 92.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.125 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -55.99 -47.23 78.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.607 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.431 ' CD1' ' CG2' ' D' ' 132' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.207 0 CA-C-O 121.327 0.584 . . . . 0.0 111.436 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' D' ' 84' ' ' LEU . 2.6 tp 179.64 53.39 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.163 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' D' ' 84' ' ' LEU . 0.6 OUTLIER -34.39 121.05 0.48 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.476 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' D' ' 89' ' ' LEU . 0.7 OUTLIER -48.91 -28.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.356 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.33 -50.37 74.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.191 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -37.11 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.279 0.561 . . . . 0.0 109.646 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.565 ' CD2' HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -66.8 -29.3 69.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.224 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.501 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -69.46 -50.02 49.51 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.204 0.526 . . . . 0.0 109.601 178.756 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 91.1 p -58.65 -31.22 67.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.028 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.82 -52.43 60.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.452 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.498 ' HA ' HD13 ' D' ' 96' ' ' ILE . 0.6 OUTLIER -61.65 -40.58 95.42 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.328 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -59.81 -38.73 82.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.497 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . 0.4 ' CD2' ' CD ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -72.2 -48.74 40.83 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.335 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' D' ' 93' ' ' LEU . 14.1 mt -54.6 -44.49 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.522 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . 0.483 ' HB3' ' CG2' ' D' ' 109' ' ' ILE . 14.7 pt20 -61.76 -44.57 96.63 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.654 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . 0.403 ' N ' ' HG3' ' D' ' 97' ' ' GLN . 1.0 OUTLIER -84.31 -0.88 54.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.919 0.39 . . . . 0.0 110.564 179.162 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 99' ' ' THR . . . . . 0.414 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.3 m -101.44 -33.93 9.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.401 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . . . . . . . . . 75.7 mt -87.67 -50.81 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.466 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.35 41.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.503 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.5 OUTLIER -103.92 21.3 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.628 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.38 -73.27 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.555 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -58.76 -29.85 67.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.14 0.495 . . . . 0.0 109.811 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.418 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 1.6 m -69.83 -42.25 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.364 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -31.38 72.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.092 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.6 -41.6 68.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.757 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -70.58 -44.82 66.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.483 ' CG2' ' HB3' ' D' ' 97' ' ' GLN . 5.2 mt -59.64 -49.04 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.441 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 27.9 t -56.67 -33.81 66.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.067 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -51.32 70.45 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.039 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . 0.413 ' CD2' HG11 ' A' ' 15' ' ' VAL . 2.5 mt -61.7 -43.15 99.41 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' D' ' 117' ' ' GLN . 4.5 mt -55.87 -49.61 72.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.589 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . 0.418 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 6.7 mt-30 -61.32 -43.12 99.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.229 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.485 ' O ' ' CG ' ' D' ' 121' ' ' PHE . 1.9 mp -61.08 -40.05 92.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.567 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.426 ' CG1' ' CG2' ' D' ' 86' ' ' ILE . 64.2 t -66.13 -53.85 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.407 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -65.15 -16.29 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.844 -179.484 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.07 129.38 34.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.736 0.303 . . . . 0.0 110.698 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -58.63 7.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.584 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -44.7 88.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.485 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 19.1 t80 -60.14 -56.14 25.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.573 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.67 -31.88 39.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.435 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.422 ' HB3' ' CD1' ' B' ' 127' ' ' ILE . 14.6 m-20 -66.42 -49.83 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.768 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.867 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.44 ' CG ' HD11 ' D' ' 86' ' ' ILE . 4.5 t80 -59.82 -34.6 73.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.063 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -41.62 87.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.857 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.491 HD11 HG21 ' D' ' 127' ' ' ILE . 55.6 mt -61.3 -49.74 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.984 0.421 . . . . 0.0 110.876 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.648 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.6 t-80 -66.28 -45.54 80.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.162 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -54.91 -60.19 3.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.15 66.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . . . . . . . . . 82.2 mt -57.29 -42.7 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.322 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.648 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -62.08 -46.39 89.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.184 0.516 . . . . 0.0 109.879 179.218 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.418 ' N ' ' CG2' ' D' ' 132' ' ' THR . 88.5 t -52.78 -51.19 38.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.651 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -30.72 71.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.303 179.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 22.3 ttm . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.987 179.858 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.45 -52.91 63.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -57.85 -43.53 85.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.572 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.3 mmt -61.46 -45.53 93.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.042 0.449 . . . . 0.0 109.878 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -66.19 -32.85 74.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.734 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 t -59.94 -54.98 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.644 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.431 ' CD1' ' HE2' ' A' ' 43' ' ' LYS . 18.5 mt -56.73 -45.53 81.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -29.34 68.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' D' ' 108' ' ' ASP . 3.3 t -72.46 -36.11 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.622 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.16 -43.58 94.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.717 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.74 -48.27 79.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.855 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -54.91 41.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.432 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 91.6 mt -55.34 -54.64 41.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.52 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 32' ' ' ASN . 4.4 tmm_? -51.66 -37.24 49.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.929 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.64 -48.94 83.73 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.124 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.526 ' HB3' HD23 ' D' ' 100' ' ' LEU . 9.9 mttm -59.9 -41.12 90.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.57 0.224 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 31.6 mt -57.0 -50.38 72.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.162 0.505 . . . . 0.0 110.375 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -61.37 -26.5 67.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.129 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.75 -33.28 27.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.05 0.452 . . . . 0.0 110.548 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.413 ' NZ ' ' HA ' ' D' ' 100' ' ' LEU . 0.0 OUTLIER -81.18 -33.26 33.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.436 -179.734 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.05 -12.35 9.21 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.521 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -76.43 79.17 3.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 109.934 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.57 23.95 2.45 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.708 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.9 m -101.57 -48.44 4.33 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.435 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -75.08 -24.86 58.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.742 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.41 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 33.8 p-10 -53.04 -43.98 67.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.683 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.11 -32.78 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.164 0.507 . . . . 0.0 110.056 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -66.7 -45.3 79.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.149 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.88 -31.03 70.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.447 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.0 m -77.19 -36.27 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.88 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.29 -42.42 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.279 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.449 ' CD2' HD11 ' A' ' 42' ' ' LEU . 46.0 t80 -71.41 -51.06 26.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.016 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.514 ' CZ ' ' HE3' ' A' ' 43' ' ' LYS . 9.1 t80 -55.28 -54.24 46.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.471 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.41 ' HA ' ' HG3' ' A' ' 43' ' ' LYS . 6.5 mm-40 -59.97 -52.6 64.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.099 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.407 HG22 ' CE1' ' D' ' 128' ' ' HIS . 88.3 m -54.75 -29.2 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.011 0.434 . . . . 0.0 110.255 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.449 HD11 ' CD2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -69.78 -36.01 75.38 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.405 179.246 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -68.57 -31.5 70.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.26 179.689 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -44.59 130.27 4.96 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.241 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.11 -39.55 7.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.524 2.15 . . . . 0.0 112.397 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.402 ' CD1' ' CG1' ' C' ' 57' ' ' ILE . 1.7 tp -62.13 -50.66 71.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.213 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.428 ' CE1' ' HA ' ' D' ' 125' ' ' PHE . 10.7 t80 -57.7 -42.0 82.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -57.14 -40.59 77.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.319 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -40.21 95.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.229 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.9 mt -58.1 -46.58 88.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.732 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -38.0 89.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.268 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.8 m -53.77 -51.54 63.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.458 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.03 -48.77 79.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.18 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -34.59 71.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.563 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -40.29 96.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.288 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -41.78 99.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.858 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.433 HG12 ' CD1' ' C' ' 46' ' ' LEU . 1.7 mt -60.25 -41.24 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.151 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -59.16 -41.45 88.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.843 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.39 89.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.165 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -57.47 -43.74 84.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.551 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -65.63 -29.91 70.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.183 -179.7 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.673 0.273 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.474 ' N ' ' CD1' ' B' ' 83' ' ' ILE . 0.0 OUTLIER -99.64 -160.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 0.0 111.088 -179.684 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.431 HD23 ' CE2' ' B' ' 125' ' ' PHE . 27.5 tp -159.83 -33.95 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.284 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' B' ' 84' ' ' LEU . 0.3 OUTLIER 53.55 109.27 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.843 0.354 . . . . 0.0 111.014 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.533 ' O ' ' HB2' ' B' ' 90' ' ' PHE . 0.8 OUTLIER -52.03 -25.57 6.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.928 -179.365 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.68 -45.5 89.78 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.297 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -34.41 49.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.786 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.475 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.13 -30.45 65.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.37 179.317 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.533 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 15.4 t80 -72.19 -48.85 40.06 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.852 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -31.27 71.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.54 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' SER . . . . . 0.412 ' O ' ' CD1' ' B' ' 96' ' ' ILE . 4.6 t -62.4 -53.43 54.99 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.389 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.676 ' HA ' HD13 ' B' ' 96' ' ' ILE . 0.6 OUTLIER -56.14 -36.23 68.02 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.315 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . 0.45 ' HA ' ' HG2' ' B' ' 97' ' ' GLN . 22.4 mmtt -59.89 -38.95 83.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.834 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.417 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 2.2 t60 -72.25 -53.15 13.38 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.676 HD13 ' HA ' ' B' ' 93' ' ' LEU . 3.6 mt -54.48 -34.97 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.947 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.467 ' HB3' ' CG2' ' B' ' 109' ' ' ILE . 5.3 pt20 -70.11 -40.18 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.435 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.457 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -80.8 -21.02 41.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.302 179.039 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -85.06 -40.15 17.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.025 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.438 ' HB3' ' CB ' ' B' ' 105' ' ' SER . 68.8 mt -95.07 88.22 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.97 35.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.5 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.19 13.69 18.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.858 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 69.42 -67.56 0.22 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.838 0.351 . . . . 0.0 111.327 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -56.07 -33.13 64.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.698 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' B' ' 100' ' ' LEU . 0.3 OUTLIER -68.54 -39.01 81.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.695 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.54 -34.12 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.269 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . 0.507 ' HG3' ' N ' ' B' ' 108' ' ' ASP . 0.0 OUTLIER -70.3 -39.79 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.51 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.507 ' N ' ' HG3' ' B' ' 107' ' ' GLU . 18.7 m-20 -70.94 -44.29 66.44 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' B' ' 97' ' ' GLN . 5.9 mt -58.97 -49.14 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.662 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 26.7 t -55.27 -37.57 67.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.237 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.4 tt -57.02 -51.12 70.53 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.02 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mt -61.37 -42.11 98.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' B' ' 117' ' ' GLN . 4.8 mt -57.05 -46.98 82.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.718 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . 0.4 ' HA ' ' CG ' ' B' ' 117' ' ' GLN . 4.5 mt-30 -60.82 -43.66 97.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.477 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 6.4 mp -61.13 -42.24 98.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.326 0.584 . . . . 0.0 109.485 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.472 ' CG1' HG23 ' B' ' 86' ' ' ILE . 72.0 t -63.28 -53.66 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.592 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' B' ' 113' ' ' LEU . 0.2 OUTLIER -64.64 -19.74 65.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.727 -179.238 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . 0.454 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 36.2 t30 -56.31 146.04 25.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.776 0.322 . . . . 0.0 110.564 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -58.61 3.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.865 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.36 -50.39 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.959 0.409 . . . . 0.0 111.137 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 10.0 t80 -58.53 -43.95 89.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.517 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.9 -35.48 66.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.692 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . 0.476 ' O ' HG13 ' B' ' 127' ' ' ILE . 1.4 m-80 -68.04 -51.75 43.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.408 ' HA ' ' CG2' ' C' ' 50' ' ' ILE . . . -56.87 -39.66 74.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.07 0.462 . . . . 0.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.53 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 10.4 t80 -68.76 -39.42 80.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.428 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -43.73 74.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.223 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.532 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 60.4 mt -60.05 -50.01 81.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.638 ' O ' ' HB ' ' B' ' 132' ' ' THR . 26.8 t-80 -62.08 -46.73 87.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.003 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -55.2 -60.71 3.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.976 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.47 -52.16 65.67 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 42.8 mt -56.65 -42.04 75.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.179 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.638 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -59.64 -42.83 93.64 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.441 HG22 HD12 ' B' ' 83' ' ' ILE . 45.3 t -52.72 -50.0 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.393 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -63.5 -31.7 72.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.107 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.22 -42.19 85.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.599 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.89 179.833 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.88 0.371 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -66.47 -45.0 81.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -44.17 92.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.6 tpt -61.57 -49.27 77.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.017 0.437 . . . . 0.0 110.023 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.05 -33.62 75.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.698 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 t -60.18 -55.51 23.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.586 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.448 ' HB3' ' CE2' ' C' ' 39' ' ' TYR . 14.2 mt -53.88 -43.88 69.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 110.361 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.7 -28.23 66.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.92 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.411 ' CG1' ' HB3' ' B' ' 108' ' ' ASP . 16.1 t -74.07 -39.1 50.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.091 179.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 7.9 mt -64.5 -41.44 96.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.925 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -69.33 -44.11 72.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.695 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -54.14 39.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.06 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' B' ' 109' ' ' ILE . 70.9 mt -53.86 -57.4 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 0.0 110.787 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -29.84 59.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.799 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.3 -45.95 88.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.816 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -62.28 -38.34 88.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.731 0.301 . . . . 0.0 110.711 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 26.9 mt -60.8 -50.14 74.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.962 0.411 . . . . 0.0 110.357 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -29.31 67.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.894 179.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -82.45 -31.78 29.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.544 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.38 -29.77 33.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.078 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.26 21.19 4.15 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.659 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -116.74 83.59 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.151 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.18 17.51 10.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.391 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 2.8 m -93.89 -46.73 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.416 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.417 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 4.5 mp0 -73.02 -22.3 60.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.774 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -56.71 -40.03 74.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -56.89 -32.8 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.114 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -73.35 -41.87 62.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.249 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' C' ' 35' ' ' LEU . 1.3 mt -67.47 -33.26 74.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.415 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 17.7 m -75.5 -31.2 60.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.819 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' B' ' 84' ' ' LEU . . . -74.63 -49.33 21.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.357 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.453 ' CE1' ' CD1' ' C' ' 42' ' ' LEU . 2.1 t80 -63.37 -47.3 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.277 0.561 . . . . 0.0 110.035 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.457 ' CE1' ' HD3' ' C' ' 43' ' ' LYS . 47.9 t80 -56.63 -53.89 52.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.2 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . 0.419 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 0.8 OUTLIER -62.71 -44.3 96.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.65 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' THR . . . . . 0.457 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 87.9 m -59.8 -34.39 72.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.527 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.453 ' CD1' ' CE1' ' C' ' 38' ' ' PHE . 3.6 mt -68.99 -34.36 75.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.059 0.457 . . . . 0.0 110.228 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.457 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 0.5 OUTLIER -74.89 -31.01 61.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.0 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -46.61 146.38 2.53 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.356 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.89 -45.65 2.01 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.578 2.185 . . . . 0.0 112.365 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.433 ' CD1' HG12 ' A' ' 57' ' ' ILE . 3.7 mm? -57.93 -55.34 36.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.468 ' O ' ' HG ' ' C' ' 51' ' ' LEU . 8.5 t80 -52.66 -50.6 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -55.4 -34.1 64.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.294 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -67.89 -41.92 82.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.949 0.404 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . 0.408 ' CG2' ' HA ' ' B' ' 124' ' ' ALA . 3.0 mt -63.0 -36.83 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -69.67 -36.61 76.17 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.497 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -56.22 -47.74 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.41 -44.24 97.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.69 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -35.33 76.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.88 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.77 -36.42 83.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.607 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 35.3 m -60.77 -52.18 66.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.701 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.402 ' CG1' ' CD1' ' A' ' 46' ' ' LEU . 52.6 mt -60.26 -35.77 64.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.796 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -35.26 74.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.613 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -39.98 82.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.839 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' C' ' 57' ' ' ILE . 1.6 mt -53.21 -52.33 59.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.559 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.066 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.416 ' CD1' HG23 ' D' ' 132' ' ' THR . 1.1 mm . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.948 0.404 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 38' ' ' PHE . 54.8 tp -120.36 -40.29 2.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.997 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.51 104.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 0.7 OUTLIER -49.86 -27.01 3.16 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.375 -179.628 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -48.89 79.03 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.221 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -35.5 60.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.78 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' D' ' 93' ' ' LEU . 0.1 OUTLIER -71.34 -28.37 64.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.45 179.455 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.9 t80 -72.51 -50.28 27.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.858 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 8.5 t -63.36 -27.99 69.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.43 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 63.9 m -64.73 -52.48 56.85 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.731 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.8 OUTLIER -57.22 -37.92 72.98 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -59.44 -38.08 79.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.378 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.8 t60 -69.79 -54.42 13.72 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.442 HD13 ' HA ' ' D' ' 93' ' ' LEU . 7.0 mt -51.02 -39.8 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.923 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . 0.418 ' HG3' ' CG2' ' D' ' 109' ' ' ILE . 2.3 tt0 -62.81 -47.7 82.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.11 -16.03 57.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.579 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 99' ' ' THR . . . . . 0.422 ' N ' ' O ' ' D' ' 95' ' ' HIS . 1.2 m -87.26 -34.85 18.79 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.506 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' A' ' 22' ' ' LYS . 13.7 mt -90.11 -57.16 2.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.167 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.0 33.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.556 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.15 25.2 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.61 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t 66.74 -71.8 0.09 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.597 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -27.92 68.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.407 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 0.8 OUTLIER -72.55 -47.28 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.859 179.411 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -64.46 -30.42 71.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.754 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -39.62 63.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.076 0.465 . . . . 0.0 110.048 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . 0.425 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 43.8 m-20 -70.85 -42.88 69.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.418 ' CG2' ' HG3' ' D' ' 97' ' ' GLN . 6.4 mt -62.31 -49.09 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.587 178.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 110' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' D' ' 113' ' ' LEU . 33.3 m -54.81 -37.23 65.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.208 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . 0.423 ' HA ' ' HG2' ' D' ' 114' ' ' GLN . 6.2 tt -61.0 -45.22 95.71 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' D' ' 108' ' ' ASP . 4.2 mt -63.57 -41.19 98.4 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' D' ' 117' ' ' GLN . 3.0 mt -60.43 -43.24 96.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.448 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . 0.558 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -61.95 -37.24 83.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.38 179.722 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.558 ' N ' ' HG3' ' D' ' 114' ' ' GLN . 4.0 mp -70.53 -50.17 40.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.74 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.433 ' CG1' HG23 ' D' ' 86' ' ' ILE . 47.3 t -61.08 -37.34 77.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.588 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 15.5 mt-30 -81.93 -20.35 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.645 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -51.59 146.53 7.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.642 0.258 . . . . 0.0 110.652 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -58.76 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.395 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.93 -46.07 90.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 111.122 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.5 t80 -56.07 -56.31 22.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 3.1 tt0 -52.98 -35.05 58.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.716 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.471 ' HB3' HG12 ' B' ' 127' ' ' ILE . 0.7 OUTLIER -59.7 -51.34 70.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.862 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.61 -49.17 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.695 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.437 ' CD1' HD12 ' D' ' 86' ' ' ILE . 2.8 t80 -56.86 -36.68 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.703 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 22.6 mmtt -62.76 -40.81 98.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.221 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.532 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 53.3 mt -58.92 -50.05 80.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.436 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.591 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.2 t-80 -69.54 -32.0 70.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.793 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . 0.408 ' O ' ' CG2' ' D' ' 133' ' ' VAL . 1.8 m-20 -64.61 -60.88 2.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.681 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.09 -49.94 58.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.907 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . . . . . . . . . 39.0 mt -53.49 -39.26 36.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.634 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.591 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.15 -52.53 63.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.231 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' D' ' 129' ' ' ASN . 16.4 t -54.03 -44.75 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.774 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -63.22 -32.46 73.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.125 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 19.9 ttm . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.442 179.575 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.84 0.352 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 12' ' ' VAL . 2.6 mm-40 -64.01 -30.73 71.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -61.66 -48.45 80.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.905 0.383 . . . . 0.0 110.244 179.598 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -38.35 87.99 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 7.7 tm0? -68.56 -32.49 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.644 178.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.439 ' HB ' ' O ' ' A' ' 9' ' ' LYS . 2.7 t -61.76 -51.58 71.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.221 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.444 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 15.0 mt -59.29 -40.05 84.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.836 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -28.14 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.615 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.433 ' CG1' ' HB3' ' D' ' 108' ' ' ASP . 3.5 t -74.42 -38.44 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.012 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.24 -38.88 92.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -72.33 -38.66 68.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.742 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -70.16 -54.2 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 84.7 mt -53.61 -53.49 51.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.997 0.427 . . . . 0.0 110.408 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HG2' ' HA ' ' A' ' 32' ' ' ASN . 4.7 tmm_? -53.11 -43.85 67.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.068 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.24 -42.85 93.63 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.345 -0.931 . . . . 0.0 111.864 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' LYS . 3.5 mttm -61.79 -42.15 98.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.595 0.236 . . . . 0.0 110.738 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 35.1 mt -58.6 -50.57 73.34 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 110.737 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -32.76 64.21 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -83.14 -26.13 31.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.626 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LYS . 7.9 mttt -82.31 -31.06 30.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.203 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.26 12.45 10.87 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.253 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -107.56 83.94 1.89 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.84 29.82 2.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.0 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -105.46 -51.94 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.509 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -73.71 -23.2 59.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -49.8 -38.77 35.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.945 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.32 -32.59 72.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.095 0.474 . . . . 0.0 110.027 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -42.89 74.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.347 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.3 mt -63.58 -30.73 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.494 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.7 p -77.4 -38.69 49.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.01 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.52 -39.95 73.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.456 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.442 ' CD1' HD23 ' D' ' 89' ' ' LEU . 2.3 t80 -73.84 -34.04 64.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.34 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 13' ' ' LEU . 55.8 t80 -69.71 -53.07 20.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.6 -50.13 75.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.044 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.455 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 74.3 m -55.4 -45.49 76.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.438 ' HB3' ' CD2' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -58.93 -35.7 73.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.08 0.467 . . . . 0.0 110.391 179.413 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 15.7 mtpt -76.32 -32.86 58.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.461 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 t -44.51 135.84 4.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.331 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.64 -41.34 15.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.47 2.113 . . . . 0.0 112.22 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.407 ' CD1' ' CD1' ' C' ' 57' ' ' ILE . 0.3 OUTLIER -62.13 -52.67 62.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.233 179.639 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.482 ' CE1' ' CD2' ' A' ' 51' ' ' LEU . 19.3 t80 -57.53 -44.95 85.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.514 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -39.13 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.743 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -62.7 -42.24 99.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.444 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.54 -45.08 90.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.482 ' CD2' ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -69.59 -34.86 74.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.514 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.2 m -53.91 -50.91 65.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.972 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.809 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -31.44 70.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.324 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -39.96 86.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.212 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -60.81 -45.46 94.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.931 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.4 ' CG2' ' CG2' ' B' ' 131' ' ' ILE . 7.0 mt -60.79 -37.18 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.277 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -39.56 86.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.904 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -40.25 96.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.115 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.58 -47.54 76.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.523 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -59.07 -52.86 63.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.528 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.834 0.349 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.426 ' CD1' ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -99.42 -159.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 111.101 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.403 ' CD2' HD21 ' B' ' 89' ' ' LEU . 7.8 tp -173.62 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.495 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.81 115.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' B' ' 90' ' ' PHE . 0.9 OUTLIER -56.98 -26.59 24.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.451 -179.856 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.26 -48.01 79.97 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.477 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -34.61 55.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 109.809 178.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.497 HD22 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.34 -29.91 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.553 179.549 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.55 -48.03 43.44 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 22.5 p -62.57 -30.1 71.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.567 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' SER . . . . . 0.403 ' O ' ' CD1' ' B' ' 96' ' ' ILE . 1.3 m -63.97 -53.26 52.93 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.417 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.671 ' HA ' HD11 ' B' ' 96' ' ' ILE . 0.6 OUTLIER -56.35 -36.3 68.62 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.325 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -58.97 -43.55 91.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.671 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -67.36 -55.98 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.671 HD11 ' HA ' ' B' ' 93' ' ' LEU . 4.1 mt -50.93 -33.75 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.19 -0.913 . . . . 0.0 111.072 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -65.38 -48.92 71.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.973 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -77.28 -22.15 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.382 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.06 -33.86 26.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.976 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.459 ' HB3' ' CB ' ' B' ' 105' ' ' SER . 95.4 mt -102.71 85.27 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.94 36.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.286 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -92.79 15.82 13.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.946 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.35 -68.12 0.18 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.779 0.323 . . . . 0.0 111.269 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -36.56 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.048 0.452 . . . . 0.0 110.686 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' B' ' 100' ' ' LEU . 50.4 m -67.59 -37.56 82.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . 0.431 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.5 OUTLIER -63.32 -36.08 82.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.093 0.473 . . . . 0.0 110.195 179.439 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.52 -40.46 80.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.516 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.431 ' HB3' HG11 ' C' ' 15' ' ' VAL . 37.4 m-20 -70.28 -43.39 70.55 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.457 HG13 ' CD2' ' C' ' 19' ' ' LEU . 4.5 mt -59.28 -49.58 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.623 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 2.9 m -56.94 -34.12 67.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.865 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -51.5 68.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.937 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.43 ' CD2' HG12 ' C' ' 15' ' ' VAL . 1.6 mt -63.53 -41.61 98.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.474 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 5.4 mt -57.77 -42.13 83.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.87 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.79 -49.5 76.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.936 0.398 . . . . 0.0 110.567 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.459 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.6 mp -61.79 -48.69 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.128 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.46 ' CG1' HG12 ' B' ' 86' ' ' ILE . 61.5 t -60.56 -37.27 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.587 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 75.4 mt-30 -85.79 -11.14 54.24 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -60.43 146.62 43.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.68 0.276 . . . . 0.0 110.508 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -58.69 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.176 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.06 -47.48 85.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.72 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.1 t80 -55.87 -54.16 48.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.4 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -50.29 -38.24 40.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.751 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.01 -47.62 85.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.654 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.36 -49.19 78.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.265 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.456 ' CD1' HD13 ' B' ' 86' ' ' ILE . 11.5 t80 -62.33 -37.45 85.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.255 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -63.94 -38.72 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.764 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.429 HD11 HD13 ' D' ' 127' ' ' ILE . 9.3 mt -63.72 -49.63 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.67 ' O ' ' HB ' ' B' ' 132' ' ' THR . 26.0 t-80 -67.92 -39.28 83.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.822 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.409 ' ND2' ' CG2' ' B' ' 83' ' ' ILE . 19.5 t-20 -55.32 -60.35 3.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.806 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.72 -51.52 48.31 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . 0.434 HD11 HG23 ' B' ' 131' ' ' ILE . 70.5 mt -53.8 -43.73 57.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.528 0.204 . . . . 0.0 111.282 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.67 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.7 OUTLIER -60.14 -53.67 54.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.452 0.644 . . . . 0.0 109.536 178.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 57.5 t -53.59 -48.09 59.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -31.59 72.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.362 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 11.3 ttm -59.11 -49.93 76.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.694 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.977 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -64.57 -56.47 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -60.05 -43.41 95.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.601 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 5.1 mmt -61.41 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.852 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.404 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 32.2 tp60 -68.72 -34.09 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.627 178.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 25.8 t -60.12 -56.35 18.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.718 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' C' ' 42' ' ' LEU . 17.2 mt -57.46 -41.7 81.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.099 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -28.5 67.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.444 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' B' ' 108' ' ' ASP . 2.2 t -73.69 -37.92 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.83 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 23.8 mt -64.17 -42.75 96.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.077 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -39.17 78.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mtp-105 -68.08 -48.0 66.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.767 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.457 ' CD2' HG13 ' B' ' 109' ' ' ILE . 33.9 mt -58.96 -57.53 12.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.649 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . 0.419 ' HB3' ' CD1' ' C' ' 35' ' ' LEU . 0.0 OUTLIER -56.74 -30.04 63.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.595 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' C' ' 20' ' ' ARG . . . -64.93 -47.15 86.0 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.6 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -38.51 84.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 110.265 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 33.2 mt -61.07 -50.11 74.6 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.505 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.99 -32.13 61.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.6 -28.51 30.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.296 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -78.48 -33.05 48.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.41 13.5 8.87 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.326 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -112.57 85.43 2.16 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.027 0.441 . . . . 0.0 110.185 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.44 16.88 10.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.06 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m -88.1 -49.88 6.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.49 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -74.51 -22.29 59.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -54.21 -44.9 72.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -56.94 -32.75 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.336 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -70.74 -44.65 66.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.35 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.419 ' CD1' ' HB3' ' C' ' 20' ' ' ARG . 1.6 mt -60.23 -30.84 69.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.426 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 4.3 t -77.17 -34.44 56.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.993 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.28 -44.28 68.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.429 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.446 ' CD1' HD21 ' B' ' 89' ' ' LEU . 61.6 t80 -70.64 -43.68 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.265 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.472 ' CZ ' ' HD3' ' C' ' 43' ' ' LYS . 10.6 t80 -62.31 -53.57 53.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.093 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -58.5 -50.62 73.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 63.7 m -57.09 -38.2 73.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.855 0.36 . . . . 0.0 110.413 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.453 ' HB3' HD22 ' C' ' 13' ' ' LEU . 0.2 OUTLIER -60.55 -35.57 76.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.149 0.5 . . . . 0.0 110.076 179.263 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.472 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -73.4 -30.49 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.089 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 15.1 m -46.37 135.98 7.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.37 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.04 -38.92 8.63 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.54 2.16 . . . . 0.0 111.984 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -63.84 -54.16 39.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.148 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.475 ' CE1' ' CD2' ' C' ' 51' ' ' LEU . 13.6 t80 -57.61 -45.71 85.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.319 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -57.22 -39.14 74.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.614 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -60.13 -43.45 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.317 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 11.3 mt -58.35 -45.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.638 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.475 ' CD2' ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.56 -34.95 79.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.366 179.606 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -53.8 -52.64 59.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.064 0.459 . . . . 0.0 109.85 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.73 -40.79 89.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.509 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . 0.405 ' NE2' ' N ' ' B' ' 124' ' ' ALA . 5.2 mm-40 -62.07 -36.29 81.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.247 179.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -62.45 -38.43 89.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.786 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.87 -47.64 85.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.707 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.407 ' CD1' ' CD1' ' A' ' 46' ' ' LEU . 6.2 mt -62.1 -36.38 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.225 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -59.28 -37.22 77.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.821 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -39.88 85.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.949 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' C' ' 57' ' ' ILE . 1.1 mt -53.21 -49.21 67.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.528 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.876 179.858 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.435 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 121.444 0.64 . . . . 0.0 111.783 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 8.7 tp -156.73 -34.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.793 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.76 111.77 0.01 OUTLIER 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.765 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.556 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 1.0 OUTLIER -53.82 -24.96 11.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.503 -179.59 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.38 -50.11 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.192 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -33.73 60.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.147 0.499 . . . . 0.0 109.739 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.477 ' CD2' HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.13 -29.03 63.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.375 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.556 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.6 t80 -71.76 -49.57 37.85 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 5.6 m -61.64 -30.2 70.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.471 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -61.77 -53.1 60.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.273 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.8 OUTLIER -56.8 -37.88 71.78 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.482 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -37.18 78.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.475 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . 0.429 ' O ' ' HB ' ' D' ' 99' ' ' THR . 1.0 OUTLIER -71.26 -52.77 17.11 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.286 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.44 HG21 HD12 ' D' ' 109' ' ' ILE . 10.6 mt -53.05 -40.44 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.196 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . 0.466 ' HG3' HG22 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -61.5 -53.55 54.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.223 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.44 -2.61 42.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.027 0.442 . . . . 0.0 110.477 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 99' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' D' ' 95' ' ' HIS . 1.5 m -98.5 -33.46 11.0 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.566 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.414 HD13 HD23 ' A' ' 19' ' ' LEU . 48.5 mt -91.13 -53.48 4.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.209 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.75 36.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.68 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -97.13 21.57 9.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.831 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 28.6 t 66.1 -71.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.924 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -34.06 72.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.177 0.513 . . . . 0.0 109.864 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.407 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 87.9 p -67.98 -41.6 82.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.28 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . 0.403 ' NE2' ' NE2' ' D' ' 97' ' ' GLN . 0.4 OUTLIER -61.49 -32.41 72.43 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.002 0.43 . . . . 0.0 110.16 179.555 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -42.41 71.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.649 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . 0.433 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 17.1 m-20 -70.64 -42.4 70.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.718 0.77 . . . . 0.0 108.977 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.466 HG22 ' HG3' ' D' ' 97' ' ' GLN . 5.1 mt -61.1 -49.24 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.589 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 110' ' ' SER . . . . . 0.406 ' HA ' HD11 ' D' ' 113' ' ' LEU . 1.2 m -57.67 -33.9 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.903 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . 0.415 ' CD2' ' CG2' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -58.13 -51.24 70.56 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.101 179.014 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . 0.411 ' O ' ' CG2' ' D' ' 116' ' ' VAL . 0.8 OUTLIER -63.92 -38.27 90.45 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.799 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' D' ' 117' ' ' GLN . 5.8 mt -60.88 -43.53 98.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.372 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.94 -52.67 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.466 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 1.8 pp -65.41 -35.66 81.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.35 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.425 HG11 HG12 ' D' ' 86' ' ' ILE . 19.8 t -65.48 -36.52 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 53.6 mt-30 -88.09 -12.81 43.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.847 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -51.56 139.07 21.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.643 0.259 . . . . 0.0 110.568 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -59.09 5.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.75 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -48.74 80.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 111.21 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.9 t80 -55.67 -51.6 66.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -53.03 -41.47 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.8 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.56 ' O ' HG13 ' D' ' 127' ' ' ILE . 0.5 OUTLIER -59.89 -51.83 68.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -179.766 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.47 -49.18 75.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.494 ' CG ' ' CD1' ' D' ' 86' ' ' ILE . 9.5 t80 -55.99 -35.54 66.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -29.48 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.56 HG13 ' O ' ' D' ' 123' ' ' ASN . 13.0 mt -66.4 -50.02 70.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.093 0.473 . . . . 0.0 110.551 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.594 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.2 t-80 -65.07 -44.78 87.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.836 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -55.51 -60.53 3.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.726 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.09 -51.33 70.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.502 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . 0.414 HD11 HG23 ' D' ' 131' ' ' ILE . 72.1 mt -57.28 -45.32 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.179 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.594 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -61.59 -48.33 81.42 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.182 0.515 . . . . 0.0 109.857 179.249 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.419 ' N ' ' CG2' ' D' ' 132' ' ' THR . 85.0 t -55.52 -51.49 57.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.141 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -63.81 -30.77 71.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.988 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.9 ttm . . . . . 0 C--N 1.333 -0.147 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 179.713 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.8 0.333 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.79 -53.88 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 2.9 tmmm? -58.67 -41.81 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.596 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.8 tpt -61.3 -44.63 96.89 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -66.53 -35.43 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.344 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.97 -50.27 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.614 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.434 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 12.6 mt -57.64 -46.6 83.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.046 0.45 . . . . 0.0 109.932 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -28.34 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.76 178.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.3 t -73.13 -40.02 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.773 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.76 -42.09 96.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -41.31 71.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.657 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -63.57 -54.3 38.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' D' ' 109' ' ' ILE . 86.5 mt -52.98 -56.64 14.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.442 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -50.76 -36.47 36.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.885 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.12 -49.7 75.67 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.967 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -31.85 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 0.0 110.598 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 26.1 mt -68.4 -50.35 53.48 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.019 0.437 . . . . 0.0 110.42 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -26.76 63.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.913 179.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.6 -31.66 28.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.464 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -33.15 39.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.257 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.64 19.16 5.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -116.06 81.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.145 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.55 13.15 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.186 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.4 m -78.64 -54.88 5.66 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.491 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.418 ' OE1' ' CD2' ' D' ' 95' ' ' HIS . 2.1 mp0 -67.17 -17.81 65.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.464 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.29 -52.85 15.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.75 -32.75 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.407 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -67.22 -40.08 86.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.161 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.16 -32.12 69.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.602 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -34.46 55.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.956 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.08 -42.26 63.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.539 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.431 ' CD1' HD21 ' D' ' 89' ' ' LEU . 4.7 t80 -71.72 -37.43 70.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.233 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.439 ' CE1' ' HD3' ' A' ' 43' ' ' LYS . 17.8 t80 -65.95 -53.12 43.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.823 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -58.6 -47.89 82.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.454 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 48.9 m -56.83 -48.7 77.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.415 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.47 -38.94 60.52 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.214 0.531 . . . . 0.0 110.247 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 26.5 mtpt -77.93 -29.24 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.345 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.29 135.79 2.42 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.466 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -61.21 -53.34 2.54 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.472 2.114 . . . . 0.0 112.567 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.431 ' CD1' HG12 ' C' ' 57' ' ' ILE . 1.4 mm? -57.52 -55.7 31.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.582 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.464 ' CE1' ' HA ' ' D' ' 125' ' ' PHE . 5.2 t80 -54.96 -48.82 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -55.61 -32.67 63.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -40.36 76.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.6 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.7 mt -64.27 -42.6 95.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.118 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -68.83 -36.55 78.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.887 0.375 . . . . 0.0 110.103 179.525 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -53.94 -52.4 60.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.835 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -45.67 87.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.819 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.406 ' NE2' ' CB ' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -61.08 -33.03 72.69 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.266 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.31 -39.45 94.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.104 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.661 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' C' ' 46' ' ' LEU . 1.9 mt -60.3 -40.48 83.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.308 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -58.91 -44.34 91.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.229 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.25 -39.83 84.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.345 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.93 -41.77 92.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.688 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -50.67 71.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.646 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.772 0.32 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.404 ' CD1' HG21 ' B' ' 132' ' ' THR . 0.8 OUTLIER -79.38 -160.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.559 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.403 ' CD1' ' HB1' ' C' ' 37' ' ' ALA . 26.7 tp -168.26 -36.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.313 . . . . 0.0 111.102 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 57.59 108.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.52 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' B' ' 90' ' ' PHE . 0.9 OUTLIER -50.82 -25.05 2.97 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.854 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.86 -47.51 80.42 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.333 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -77.34 -34.32 55.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 0.0 109.832 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.481 HD21 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.22 -30.54 65.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.542 179.512 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.499 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.9 t80 -72.23 -48.51 42.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.751 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -28.91 70.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.516 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' SER . . . . . 0.4 ' O ' ' CD1' ' B' ' 96' ' ' ILE . 4.9 t -64.51 -53.54 46.42 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.533 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.705 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.4 OUTLIER -58.04 -33.9 69.5 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -59.3 -44.9 92.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.697 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.8 t60 -68.21 -54.13 19.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' B' ' 93' ' ' LEU . 4.9 mt -50.72 -34.33 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.937 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' B' ' 93' ' ' LEU . 0.7 OUTLIER -64.0 -46.59 83.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.66 179.583 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -80.46 -20.07 44.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.366 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 2.0 m -84.26 -33.18 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.436 ' HB3' ' CB ' ' B' ' 105' ' ' SER . 42.4 mt -112.09 76.01 0.95 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -94.46 36.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.161 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.85 16.28 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.999 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m 74.47 -68.47 0.21 Allowed 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -29.7 69.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.128 0.49 . . . . 0.0 109.942 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' B' ' 100' ' ' LEU . 0.4 OUTLIER -72.2 -47.68 48.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.776 179.531 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' GLN . . . . . 0.442 ' HA ' HD13 ' B' ' 109' ' ' ILE . 5.1 pt20 -62.37 -30.09 70.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.761 0.315 . . . . 0.0 110.572 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.72 -41.02 65.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.459 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' ASP . . . . . 0.41 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 35.9 m-20 -70.45 -42.68 71.16 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.456 HG13 ' CD1' ' C' ' 19' ' ' LEU . 5.3 mt -59.72 -49.29 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.491 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 2.3 m -55.57 -35.53 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.817 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -51.34 69.07 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.84 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.4 mt -62.84 -42.52 99.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.3 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' B' ' 93' ' ' LEU . 4.7 mt -57.1 -41.13 78.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.815 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.75 -50.22 73.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.001 0.429 . . . . 0.0 110.428 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.446 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.3 mp -61.24 -49.75 75.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.137 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.421 ' CG1' HG12 ' B' ' 86' ' ' ILE . 48.8 t -58.37 -27.55 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.429 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 73.7 mt-30 -98.43 -8.29 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.79 152.69 26.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.708 0.289 . . . . 0.0 110.523 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -59.33 2.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.078 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -43.05 99.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.799 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' PHE . . . . . 0.446 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 12.3 t80 -58.67 -56.01 27.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.58 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -52.26 -36.16 51.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.815 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' ASN . . . . . 0.434 ' HB3' HG12 ' D' ' 127' ' ' ILE . 4.1 m120 -62.11 -51.24 68.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.22 -47.96 81.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' PHE . . . . . 0.471 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 2.1 t80 -57.57 -41.31 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.597 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 1.2 mptp? -64.06 -37.21 86.59 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.81 0.338 . . . . 0.0 110.712 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.449 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 44.4 mt -69.11 -49.74 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . 0.643 ' O ' ' HB ' ' B' ' 132' ' ' THR . 11.6 t-80 -68.41 -32.1 71.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -64.29 -60.81 2.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.79 -52.3 38.73 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' ILE . . . . . 0.419 HG13 ' O ' ' B' ' 127' ' ' ILE . 56.0 mt -53.79 -36.1 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.415 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' THR . . . . . 0.643 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.8 OUTLIER -61.33 -52.09 66.11 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 177.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' VAL . . . . . 0.403 ' N ' HG21 ' B' ' 132' ' ' THR . 14.5 t -52.89 -51.39 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.718 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -64.08 -32.16 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.518 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 33.3 ttm -54.75 -61.91 2.0 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 -179.873 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.93 0.395 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -63.05 -53.37 54.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -56.71 -41.46 77.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.607 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 6.4 tpt -61.77 -48.21 81.68 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . 0.403 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 30.6 tp60 -64.78 -31.89 73.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.714 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.71 -56.3 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.533 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.441 HD23 ' HB3' ' C' ' 42' ' ' LEU . 19.7 mt -54.37 -44.35 72.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.214 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -28.63 68.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' B' ' 108' ' ' ASP . 2.1 t -74.0 -37.8 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.91 179.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 74.0 mt -64.44 -37.03 86.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.732 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.8 -41.16 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.83 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -66.03 -54.69 22.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' LEU . . . . . 0.456 ' CD1' HG13 ' B' ' 109' ' ' ILE . 90.4 mt -53.2 -52.54 58.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.141 0.496 . . . . 0.0 110.286 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . 0.465 ' HD3' ' HB2' ' C' ' 35' ' ' LEU . 0.1 OUTLIER -51.5 -44.24 62.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.746 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.62 -44.91 86.14 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.111 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -64.22 -33.48 75.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.518 0.199 . . . . 0.0 111.198 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 47.5 mt -66.66 -50.49 62.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.944 0.402 . . . . 0.0 110.499 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -26.31 67.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.004 179.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.38 -31.97 29.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.494 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.51 -36.49 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.431 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.65 -19.41 6.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.943 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -73.58 80.67 1.49 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.01 0.433 . . . . 0.0 110.113 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.23 14.94 9.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.882 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 55.3 m -87.33 -44.39 11.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.666 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.445 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 3.7 mm-40 -72.84 -25.04 60.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.577 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' ASN . . . . . 0.406 ' CB ' ' HD2' ' C' ' 20' ' ' ARG . 4.1 m120 -49.89 -41.44 45.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.892 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -59.7 -33.59 71.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.345 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -73.49 -41.85 62.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.344 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.465 ' HB2' ' HD3' ' C' ' 20' ' ' ARG . 2.3 mt -66.8 -32.36 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.646 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -33.03 60.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.237 0.541 . . . . 0.0 109.896 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . 0.403 ' HB1' ' CD1' ' B' ' 84' ' ' LEU . . . -74.37 -47.08 36.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.217 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' PHE . . . . . 0.457 ' CE2' ' CD1' ' C' ' 42' ' ' LEU . 42.8 t80 -63.96 -49.73 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.176 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.472 ' CZ ' ' NZ ' ' C' ' 43' ' ' LYS . 85.2 t80 -54.13 -53.38 54.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.12 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.13 -48.31 79.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 84.8 m -56.03 -38.82 71.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.427 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . 0.457 ' CD1' ' CE2' ' C' ' 38' ' ' PHE . 0.2 OUTLIER -60.94 -41.72 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.143 179.242 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . 0.472 ' NZ ' ' CZ ' ' C' ' 39' ' ' TYR . 0.0 OUTLIER -69.39 -24.2 63.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.0 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.59 133.99 6.19 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.478 -179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.12 -49.13 8.58 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.446 2.098 . . . . 0.0 111.887 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.456 ' CD1' HG12 ' A' ' 57' ' ' ILE . 3.4 mm? -57.71 -54.7 43.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' B' ' 125' ' ' PHE . 3.4 t80 -51.06 -51.14 56.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -55.9 -36.59 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.304 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -40.41 93.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.968 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mt -63.98 -41.07 91.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.463 HD22 ' CD1' ' C' ' 47' ' ' PHE . 0.4 OUTLIER -68.77 -37.92 79.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.379 . . . . 0.0 110.17 179.526 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 93.8 m -53.91 -50.7 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.801 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -51.15 70.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.977 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.68 -31.35 69.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.444 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -41.2 98.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.989 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 74.9 m -63.25 -41.76 99.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.622 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . 0.431 HG12 ' CD1' ' A' ' 46' ' ' LEU . 3.3 mt -61.31 -43.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.239 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -40.75 74.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.184 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.88 -41.49 97.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.284 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -45.99 78.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 mttt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.894 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 83' ' ' ILE . . . . . 0.409 ' CD1' ' CG2' ' D' ' 132' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.571 0.224 . . . . 0.0 110.79 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 84' ' ' LEU . . . . . 0.427 HD21 ' CA ' ' A' ' 38' ' ' PHE . 12.2 tp -168.13 -32.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.364 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 59.36 112.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.783 0.325 . . . . 0.0 110.683 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 86' ' ' ILE . . . . . 0.499 HG13 HD22 ' D' ' 89' ' ' LEU . 0.9 OUTLIER -57.13 -25.42 22.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.527 -179.609 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.21 -46.82 82.22 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.187 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -35.95 55.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.152 0.501 . . . . 0.0 109.821 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 89' ' ' LEU . . . . . 0.499 HD22 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -71.99 -30.52 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.58 179.659 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 90' ' ' PHE . . . . . 0.483 ' CB ' ' O ' ' D' ' 86' ' ' ILE . 13.6 t80 -72.48 -46.07 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -62.78 -31.61 72.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.572 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 45.1 m -63.44 -53.02 58.81 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.578 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 93' ' ' LEU . . . . . 0.67 ' HA ' HD12 ' D' ' 96' ' ' ILE . 0.6 OUTLIER -56.35 -35.83 68.1 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.446 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 94' ' ' LYS . . . . . 0.415 ' HE3' ' CZ ' ' D' ' 90' ' ' PHE . 26.9 mmtp -58.97 -45.19 91.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.715 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 95' ' ' HIS . . . . . 0.418 ' CD2' ' OE1' ' A' ' 31' ' ' GLN . 2.1 t60 -66.85 -55.5 14.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 96' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' D' ' 93' ' ' LEU . 4.6 mt -50.9 -33.91 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.061 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 97' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' D' ' 93' ' ' LEU . 0.0 OUTLIER -64.41 -52.03 60.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.715 179.62 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -74.4 -21.51 59.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.392 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -82.22 -36.55 27.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.919 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 100' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' D' ' 109' ' ' ILE . 25.2 mt -107.82 77.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.29 37.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.638 -1.165 . . . . 0.0 111.095 -178.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.4 21.14 3.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.866 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.56 -68.61 0.17 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.066 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -59.59 -30.17 68.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.149 0.499 . . . . 0.0 110.02 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 105' ' ' SER . . . . . 0.408 ' CB ' ' HB3' ' D' ' 100' ' ' LEU . 0.4 OUTLIER -71.99 -48.56 43.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.611 179.578 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 106' ' ' GLN . . . . . 0.443 ' HA ' HD12 ' D' ' 109' ' ' ILE . 4.3 pt20 -61.49 -29.91 70.28 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 110.296 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.82 -42.14 70.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.596 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -70.38 -42.19 72.09 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 109' ' ' ILE . . . . . 0.46 HG13 ' CD1' ' A' ' 19' ' ' LEU . 3.8 mt -60.25 -49.26 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.36 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.25 -33.92 65.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.572 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.01 -51.26 69.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.707 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 112' ' ' LEU . . . . . 0.401 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.4 mt -63.32 -41.77 98.95 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.477 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 113' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' D' ' 117' ' ' GLN . 4.6 mt -58.76 -40.12 83.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.641 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.46 -50.46 72.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 0.0 110.366 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 115' ' ' LEU . . . . . 0.468 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 0.6 OUTLIER -62.31 -50.49 71.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.839 179.076 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 116' ' ' VAL . . . . . 0.459 ' CG1' HG12 ' D' ' 86' ' ' ILE . 58.4 t -58.28 -36.07 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.376 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 117' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 41.1 mt-30 -89.01 -8.73 53.5 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.6 134.53 57.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.734 0.302 . . . . 0.0 110.393 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -59.11 5.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.441 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.07 -45.72 92.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 121' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.6 t80 -57.39 -49.86 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.471 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 122' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 5.9 mt-30 -52.38 -46.02 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.979 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 123' ' ' ASN . . . . . 0.468 ' O ' HG13 ' D' ' 127' ' ' ILE . 30.4 m-20 -59.76 -47.19 86.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 124' ' ' ALA . . . . . 0.406 ' CB ' ' NE2' ' A' ' 54' ' ' GLN . . . -56.42 -45.62 80.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.309 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 125' ' ' PHE . . . . . 0.482 ' CG ' ' CD1' ' D' ' 86' ' ' ILE . 22.1 t80 -59.66 -38.38 81.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 126' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 7.2 mmpt? -63.03 -40.2 97.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.368 . . . . 0.0 110.337 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 127' ' ' ILE . . . . . 0.468 HG13 ' O ' ' D' ' 123' ' ' ASN . 4.6 mt -62.67 -49.8 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 128' ' ' HIS . . . . . 0.737 ' O ' ' HB ' ' D' ' 132' ' ' THR . 21.8 t-80 -64.14 -38.54 91.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.768 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 129' ' ' ASN . . . . . 0.402 ' O ' ' CG2' ' D' ' 133' ' ' VAL . 43.9 t-20 -55.74 -60.87 2.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.62 -52.39 31.9 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 131' ' ' ILE . . . . . 0.427 ' CD1' HG22 ' D' ' 127' ' ' ILE . 57.9 mt -53.82 -37.13 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.78 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 132' ' ' THR . . . . . 0.737 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.77 -52.27 63.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.368 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 133' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' D' ' 129' ' ' ASN . 33.9 t -52.97 -43.93 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.861 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -63.43 -32.14 73.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.224 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.58 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 t30 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.561 0.219 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.65 -58.02 1.0 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.459 2.106 . . . . 0.0 112.176 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.45 -28.21 58.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.367 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -45.0 95.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.07 -51.98 40.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.9 ttpp -59.66 -42.43 92.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.592 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.3 tpt -61.08 -42.7 98.99 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 30.9 tp60 -68.45 -34.61 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.452 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 t -60.15 -56.1 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.668 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 15.9 mt -56.35 -42.2 77.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.991 0.424 . . . . 0.0 110.083 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -28.39 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.685 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.439 HG12 ' HB3' ' D' ' 108' ' ' ASP . 2.1 t -73.58 -38.15 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.975 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mt -63.81 -42.63 97.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.743 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.75 -39.68 84.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.396 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -54.22 28.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.767 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.451 ' CD2' HG13 ' D' ' 109' ' ' ILE . 50.2 mt -53.37 -57.18 11.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.438 . . . . 0.0 110.597 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -35.53 53.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.94 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -45.47 96.5 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.944 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -62.47 -41.73 98.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.311 . . . . 0.0 110.84 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 23.8 mt -58.75 -50.59 73.37 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.038 0.447 . . . . 0.0 110.737 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -28.4 68.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.117 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.42 -31.37 29.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.784 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.82 -30.94 26.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.261 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.26 22.48 3.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.627 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -114.76 77.69 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.021 0.438 . . . . 0.0 110.31 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.25 36.17 1.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.814 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.7 m -105.25 -51.21 3.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.158 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -69.99 -17.13 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.8 -42.95 27.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.468 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 2.1 pt-20 -56.82 -32.6 65.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.905 0.383 . . . . 0.0 110.658 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HA ' ' CD2' ' D' ' 84' ' ' LEU . 38.7 mmtm -74.36 -41.47 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.453 . . . . 0.0 110.307 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' A' ' 39' ' ' TYR . 2.1 mt -70.63 -29.9 66.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.331 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.44 -35.84 53.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.124 0.487 . . . . 0.0 110.382 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' CB ' HD23 ' D' ' 84' ' ' LEU . . . -80.3 -42.74 22.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.977 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.431 ' CD2' HD12 ' A' ' 42' ' ' LEU . 36.8 t80 -63.09 -50.52 70.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.377 0.608 . . . . 0.0 109.792 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.465 ' CE1' ' HD3' ' A' ' 43' ' ' LYS . 7.7 t80 -59.51 -53.75 54.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.074 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' A' ' 43' ' ' LYS . 21.8 mm-40 -59.14 -52.23 66.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.99 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.415 HG21 ' CE1' ' D' ' 128' ' ' HIS . 95.0 m -56.01 -34.85 66.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.835 0.35 . . . . 0.0 110.342 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -63.4 -35.97 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.21 0.529 . . . . 0.0 109.994 178.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 1.4 mtmt -72.39 -31.06 65.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.1 t -47.52 126.24 10.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.393 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.58 -29.95 78.74 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.417 2.078 . . . . 0.0 111.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -70.02 -55.15 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.324 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.467 ' CE1' ' HA ' ' D' ' 125' ' ' PHE . 9.7 t80 -58.5 -34.98 71.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.15 0.5 . . . . 0.0 110.006 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -50.69 68.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.167 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 46' ' ' LEU . 8.0 pt20 -57.26 -33.81 67.98 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.502 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 46' ' ' LEU . 1.4 mt -62.2 -52.23 62.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.781 0.324 . . . . 0.0 110.304 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -62.87 -32.98 74.34 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.222 179.389 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.8 m -53.99 -54.48 38.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.269 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.421 ' CD2' HG12 ' C' ' 50' ' ' ILE . 0.3 OUTLIER -59.24 -46.03 89.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.222 179.112 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -34.45 71.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.216 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.43 -38.01 88.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.202 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.9 t -61.1 -45.8 93.23 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.088 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.425 HD11 HG21 ' A' ' 57' ' ' ILE . 29.8 mt -59.49 -40.19 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.108 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HA ' ' CG ' ' A' ' 61' ' ' LYS . 5.2 mmtt -61.32 -33.89 74.35 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.903 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -64.09 -39.25 93.65 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.44 -61.5 2.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.116 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -56.04 -24.24 38.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.215 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.29 -31.58 13.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.859 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -87.9 -52.74 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 111.031 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.67 140.06 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.8 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 121.004 0.43 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -179.08 -66.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.21 118.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.945 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.475 ' CD1' HG23 ' B' ' 133' ' ' VAL . 0.2 OUTLIER -90.2 -159.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.619 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.433 HD22 ' CA ' ' C' ' 38' ' ' PHE . 12.1 tp -154.99 -37.34 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.74 107.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.556 ' O ' ' HB2' ' B' ' 90' ' ' PHE . 1.0 OUTLIER -53.11 -25.66 10.1 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.728 -179.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.88 -49.66 73.97 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.914 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -34.14 61.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.592 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.521 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -71.25 -28.97 64.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.465 179.439 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.556 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.1 t80 -71.83 -49.75 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 9.4 p -63.08 -26.92 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.521 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' SER . . . . . 0.404 ' C ' HD11 ' B' ' 96' ' ' ILE . 12.1 t -65.24 -52.65 53.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.575 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.489 ' HA ' HD11 ' B' ' 96' ' ' ILE . 0.8 OUTLIER -58.33 -38.96 78.19 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.981 0.419 . . . . 0.0 110.155 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -59.5 -40.21 86.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.795 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.421 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.4 t60 -69.49 -52.65 24.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.489 HD11 ' HA ' ' B' ' 93' ' ' LEU . 12.6 mt -50.8 -42.03 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.97 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.439 ' HG3' HG22 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -60.35 -50.94 71.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -80.35 -4.78 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -97.38 -32.18 12.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.405 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 63.5 mt -91.07 -53.73 4.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.14 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.0 38.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.695 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.65 22.29 11.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.69 -72.52 0.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.693 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -30.17 67.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.127 0.489 . . . . 0.0 109.855 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.443 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 1.9 m -70.08 -42.48 72.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.551 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -34.69 76.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.959 0.409 . . . . 0.0 110.426 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.0 -41.44 74.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.701 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.411 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 25.9 m-20 -70.53 -43.23 70.0 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.451 HG13 ' CD2' ' C' ' 19' ' ' LEU . 4.5 mt -59.74 -49.04 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.392 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 8.3 t -55.78 -36.31 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.966 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -51.5 68.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.958 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.412 ' CD2' HG11 ' C' ' 15' ' ' VAL . 2.1 mt -62.67 -41.86 99.31 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 5.7 mt -57.4 -40.69 78.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.607 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -52.29 64.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.543 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.481 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.1 mp -60.07 -49.66 76.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.225 0.535 . . . . 0.0 110.077 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.454 ' CG1' HG12 ' B' ' 86' ' ' ILE . 96.0 t -55.11 -37.76 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.891 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 57.2 mt-30 -87.59 -11.9 47.24 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.11 127.68 33.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.722 0.296 . . . . 0.0 110.488 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -58.71 5.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.563 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.59 -48.85 80.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.8 t80 -55.69 -54.57 42.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.615 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -51.75 -36.08 45.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.77 -49.73 75.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' B' ' 127' ' ' ILE . . . -56.99 -49.28 76.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.188 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.452 ' CD1' HD12 ' B' ' 86' ' ' ILE . 10.0 t80 -63.91 -39.04 93.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.272 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -39.38 90.43 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 110.401 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' B' ' 124' ' ' ALA . 6.5 mt -62.83 -49.64 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.563 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.602 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.2 t-80 -60.9 -44.54 96.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.189 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.41 ' O ' HG23 ' B' ' 133' ' ' VAL . 21.8 t-20 -55.33 -60.98 2.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.02 69.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.424 ' CG2' ' CG2' ' A' ' 57' ' ' ILE . 55.1 mt -56.7 -43.06 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.398 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.602 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -57.67 -45.35 85.7 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.409 0.623 . . . . 0.0 109.57 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' B' ' 83' ' ' ILE . 90.6 t -54.88 -46.95 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.384 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -63.73 -31.63 72.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.202 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 27.0 ttm -57.75 -55.02 40.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.737 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -74.83 -31.95 61.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.63 -75.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.946 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.36 117.85 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.907 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 t30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.767 0.317 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.48 -39.49 6.97 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.79 2.327 . . . . 0.0 111.941 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.68 -28.83 3.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.345 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.22 84.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.998 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.24 -54.62 19.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.744 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.456 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 9.4 ttpt -55.97 -42.65 76.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -46.46 90.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.409 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 26.4 tp60 -64.78 -34.34 78.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.48 -50.03 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.846 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' C' ' 9' ' ' LYS . 13.8 mt -58.2 -44.93 88.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.402 . . . . 0.0 110.057 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -28.5 68.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.474 178.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' B' ' 112' ' ' LEU . 7.1 t -72.26 -37.98 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.823 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -64.31 -40.92 96.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.838 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -71.07 -37.62 72.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.826 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -67.44 -54.53 19.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.451 ' CD2' HG13 ' B' ' 109' ' ' ILE . 96.0 mt -54.59 -53.25 57.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.617 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . 0.432 ' HG2' ' HA ' ' C' ' 32' ' ' ASN . 0.2 OUTLIER -55.02 -37.16 66.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.75 -44.4 97.01 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.906 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -63.64 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.626 0.25 . . . . 0.0 110.873 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 34.7 mt -61.64 -50.58 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 110.552 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -27.06 68.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.072 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.69 -32.48 28.06 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.54 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.02 -32.73 39.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.232 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.59 18.91 3.9 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.595 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -113.63 85.86 2.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.959 0.409 . . . . 0.0 110.201 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.06 27.55 3.15 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.921 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -101.32 -54.99 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.465 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.421 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 2.9 mp0 -70.5 -22.31 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.607 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . 0.432 ' HA ' ' HG2' ' C' ' 20' ' ' ARG . 35.1 p-10 -51.69 -42.6 62.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.652 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.91 -32.63 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.946 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -69.35 -43.12 74.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.22 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' C' ' 35' ' ' LEU . 1.0 OUTLIER -64.55 -32.53 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.519 179.616 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -39.39 49.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.941 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.08 -38.87 79.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.312 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.445 ' CD1' HD21 ' B' ' 89' ' ' LEU . 2.8 t80 -74.8 -35.18 62.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.246 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.459 ' CE1' ' CD ' ' C' ' 43' ' ' LYS . 2.5 t80 -68.94 -51.36 40.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.846 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -52.08 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' THR . . . . . 0.42 ' CG2' ' CE2' ' C' ' 47' ' ' PHE . 94.3 m -55.9 -39.06 71.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.876 0.37 . . . . 0.0 110.431 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.446 ' HB3' HD22 ' C' ' 13' ' ' LEU . 0.3 OUTLIER -62.44 -34.93 77.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.164 179.305 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.459 ' CD ' ' CE1' ' C' ' 39' ' ' TYR . 23.9 mtpt -80.08 -28.31 39.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.888 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.14 136.41 1.67 Allowed Pre-proline 0 N--CA 1.465 0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.471 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.67 -61.33 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.602 2.202 . . . . 0.0 112.67 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' C' ' 47' ' ' PHE . 0.4 OUTLIER -57.46 -34.24 68.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.466 ' N ' ' HG ' ' C' ' 46' ' ' LEU . 28.5 t80 -62.56 -46.66 87.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.092 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -56.54 -37.5 70.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.885 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -61.82 -41.0 97.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.171 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . 0.421 HG12 ' CD2' ' A' ' 53' ' ' LEU . 2.1 mt -60.51 -42.66 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.508 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.427 HD22 ' CE1' ' C' ' 47' ' ' PHE . 0.6 OUTLIER -66.45 -42.81 87.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.371 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 13.0 m -55.73 -39.66 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.202 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.82 -50.98 68.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.03 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -34.56 73.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.113 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.86 -40.57 93.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.219 0.533 . . . . 0.0 109.921 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 11.9 t -61.4 -42.04 98.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.405 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.408 ' CD1' ' CD1' ' A' ' 46' ' ' LEU . 3.1 mt -61.45 -36.13 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.059 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -40.94 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.726 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.12 -37.32 87.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.181 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -57.31 -48.14 79.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.703 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -68.11 -30.43 69.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.01 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.01 -24.81 47.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.787 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -91.95 -39.46 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.705 0.288 . . . . 0.0 110.948 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.74 130.8 48.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.983 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.719 0.295 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -170.23 33.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.093 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' D' ' 82' ' ' LYS . 0.0 OUTLIER -99.77 26.48 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.408 0.623 . . . . 0.0 110.651 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.492 ' CD1' ' CG2' ' D' ' 133' ' ' VAL . 0.4 OUTLIER 44.68 -162.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.055 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.591 ' CD1' ' CB ' ' D' ' 89' ' ' LEU . 2.7 tm? -153.59 -40.98 0.09 Allowed 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.54 104.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.664 0.269 . . . . 0.0 110.711 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.707 ' HA ' ' CD2' ' D' ' 89' ' ' LEU . 1.2 mp -64.44 -31.15 52.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -41.19 98.43 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.977 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -38.64 47.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.11 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.707 ' CD2' ' HA ' ' D' ' 86' ' ' ILE . 0.0 OUTLIER -72.13 -28.54 63.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.819 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' D' ' 86' ' ' ILE . 1.1 t80 -72.5 -47.74 46.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 85.3 p -63.79 -29.13 70.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.559 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 8.1 m -64.38 -53.43 48.64 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.795 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' D' ' 96' ' ' ILE . 0.8 OUTLIER -57.89 -35.18 70.66 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.4 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -59.17 -41.32 88.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.483 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -69.06 -55.95 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' D' ' 93' ' ' LEU . 5.2 mt -51.41 -33.83 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.089 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' D' ' 93' ' ' LEU . 0.7 OUTLIER -64.13 -49.55 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.977 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -77.46 -22.24 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.053 0.454 . . . . 0.0 110.422 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.14 -33.52 26.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.071 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.418 ' HB3' ' CB ' ' D' ' 105' ' ' SER . 86.1 mt -101.06 86.79 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.27 36.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.23 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.35 12.37 22.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.893 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 4.7 m 69.28 -67.6 0.21 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.855 0.359 . . . . 0.0 111.17 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -36.92 70.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.043 0.449 . . . . 0.0 110.461 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.418 ' CB ' ' HB3' ' D' ' 100' ' ' LEU . 13.2 p -66.07 -38.23 87.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.587 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . 0.444 ' HA ' HD11 ' D' ' 109' ' ' ILE . 2.1 mt-30 -61.79 -38.37 87.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.012 0.434 . . . . 0.0 110.192 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.61 -41.29 88.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.817 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . 0.439 ' HB3' HG12 ' A' ' 15' ' ' VAL . 51.9 m-20 -70.03 -42.48 72.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.665 0.745 . . . . 0.0 109.142 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.451 HG13 ' CD2' ' A' ' 19' ' ' LEU . 3.8 mt -58.91 -49.5 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.461 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.96 -34.28 67.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.905 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.86 -51.41 69.16 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.001 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . 0.431 ' CD2' HG13 ' A' ' 15' ' ' VAL . 1.2 mt -64.34 -41.12 96.93 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' D' ' 117' ' ' GLN . 6.0 mt -56.97 -42.27 79.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.669 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -63.68 -50.37 69.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.62 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.444 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 3.1 mp -59.59 -47.88 83.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.434 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.442 ' CG1' HG22 ' D' ' 86' ' ' ILE . 60.2 t -59.35 -39.92 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.713 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 57.6 mt-30 -83.52 -11.45 57.41 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.89 127.9 34.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.783 0.325 . . . . 0.0 110.566 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -58.42 6.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.441 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -49.99 75.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.998 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.3 t80 -55.84 -50.37 70.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -38.68 64.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.531 ' O ' HG13 ' D' ' 127' ' ' ILE . 34.6 m-20 -64.39 -52.24 59.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 111.136 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.07 -48.99 77.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.223 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.467 ' HA ' ' CE1' ' A' ' 47' ' ' PHE . 1.7 t80 -55.33 -40.29 71.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -62.16 -36.3 81.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.162 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.531 HG13 ' O ' ' D' ' 123' ' ' ASN . 9.7 mt -60.92 -49.57 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.578 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.615 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.7 t-80 -65.75 -29.02 69.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.095 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -65.6 -61.27 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.89 -52.17 52.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.478 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . 0.451 HD12 HG21 ' D' ' 131' ' ' ILE . 48.8 mt -53.74 -35.8 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 110.449 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.615 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -61.73 -48.74 79.34 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.607 0.718 . . . . 0.0 109.328 178.158 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.492 ' CG2' ' CD1' ' D' ' 83' ' ' ILE . 15.5 t -53.12 -51.16 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.966 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.49 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.068 0.461 . . . . 0.0 110.104 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 20.6 ttm -61.05 -59.2 5.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.948 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -59.53 -37.9 79.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.99 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -58.06 -64.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 57.97 -168.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.821 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.509 0.195 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.46 -25.65 63.04 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.363 2.042 . . . . 0.0 112.4 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.97 -31.17 68.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.047 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.79 77.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.966 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.08 -55.37 26.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 12.3 ttpp -58.52 -44.82 89.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.626 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -43.0 99.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.897 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -69.79 -30.71 68.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.75 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.9 t -63.46 -56.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.502 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD23 ' HB3' ' A' ' 42' ' ' LEU . 17.1 mt -57.17 -42.74 81.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.156 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -28.18 67.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.561 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' D' ' 108' ' ' ASP . 2.4 t -74.44 -40.51 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.943 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 mt -62.38 -38.9 91.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.822 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.59 -40.29 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -54.7 24.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.461 ' CD1' HG13 ' D' ' 109' ' ' ILE . 94.2 mt -55.18 -54.93 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.139 0.495 . . . . 0.0 110.319 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.442 ' HD3' ' HB3' ' A' ' 32' ' ' ASN . 3.5 tmm_? -51.12 -37.26 44.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.145 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.94 -47.56 87.78 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.085 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -59.46 -31.87 69.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.849 0.357 . . . . 0.0 110.555 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' A' ' 28' ' ' ASP . 33.5 mt -66.57 -50.52 62.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.577 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -27.03 64.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.948 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -82.35 -30.48 30.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.343 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.1 -39.62 25.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.475 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.67 -16.34 6.21 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.091 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 8.4 m-20 -97.91 74.14 2.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.9 t -90.23 12.16 18.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.5 m -70.52 -33.68 71.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.5 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 14.7 mm-40 -75.69 -11.53 60.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.494 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.442 ' HB3' ' HD3' ' A' ' 20' ' ' ARG . 7.4 m-20 -57.91 -39.46 78.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.431 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -56.91 -35.77 69.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.866 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.655 ' HG3' HD13 ' D' ' 84' ' ' LEU . 0.0 OUTLIER -66.23 -55.81 14.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.758 0.79 . . . . 0.0 109.707 179.041 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.431 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.9 mt -58.59 -29.97 66.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.288 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.5 p -76.95 -34.18 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.05 0.452 . . . . 0.0 110.397 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' D' ' 84' ' ' LEU . . . -76.12 -42.49 46.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.951 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.456 ' CE1' ' CD1' ' A' ' 42' ' ' LEU . 3.0 t80 -71.53 -45.92 61.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.103 0.478 . . . . 0.0 110.402 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.502 ' CZ ' ' CE ' ' A' ' 43' ' ' LYS . 37.9 t80 -58.29 -53.9 53.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.086 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.51 -48.76 76.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.602 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.5 m -52.95 -34.54 56.14 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' CD1' ' CE1' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -69.35 -32.2 71.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.66 178.532 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' CE ' ' CZ ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -67.41 -31.38 71.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.692 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -49.57 133.16 19.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.475 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.81 -37.55 5.02 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.472 2.115 . . . . 0.0 111.982 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.433 ' CD1' ' CG1' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -66.68 -49.58 65.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.993 179.486 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.428 ' CZ ' HD22 ' A' ' 51' ' ' LEU . 27.3 t80 -59.45 -44.05 93.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.258 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -56.78 -38.99 73.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.231 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -60.77 -42.96 98.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.054 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.403 HG12 ' CD2' ' C' ' 53' ' ' LEU . 3.2 mt -57.93 -51.99 63.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.569 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.428 HD22 ' CZ ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -57.38 -40.23 77.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.368 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.9 m -53.45 -46.61 69.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.829 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' CD2' HG12 ' C' ' 50' ' ' ILE . 0.8 OUTLIER -59.84 -38.81 83.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.539 178.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -37.28 83.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.946 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -62.3 -40.07 95.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.228 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 t -60.54 -50.09 74.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.211 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.435 ' CG1' ' CD1' ' C' ' 46' ' ' LEU . 64.6 mt -59.77 -35.98 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.27 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -58.3 -44.41 88.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.273 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -39.55 95.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.246 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.93 -41.34 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.767 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -64.92 -52.66 55.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.68 -33.0 70.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -82.59 -31.51 28.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.816 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 mt -85.39 60.79 6.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.734 0.302 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 m 41.2 85.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.921 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -58.34 137.33 57.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.595 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.456 ' O ' ' HB3' ' B' ' 84' ' ' LEU . 0.6 OUTLIER -88.01 -36.99 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.042 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.456 ' HB3' ' O ' ' B' ' 83' ' ' ILE . 9.2 tp 70.21 -52.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.947 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.01 115.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' B' ' 90' ' ' PHE . 1.3 mt -54.21 -24.63 11.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.705 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.02 -44.47 84.62 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.954 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.43 -34.22 36.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.658 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.49 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.28 -31.76 66.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.235 179.277 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' B' ' 86' ' ' ILE . 19.2 t80 -72.28 -50.03 30.21 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.973 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -29.94 70.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.423 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 45.4 m -63.58 -51.65 64.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.335 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 89' ' ' LEU . 0.8 OUTLIER -56.63 -37.18 70.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.558 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -59.46 -41.11 88.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.573 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.9 t60 -68.86 -53.47 21.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' B' ' 93' ' ' LEU . 7.7 mt -52.04 -38.37 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.874 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -49.41 72.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.742 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -82.66 -1.04 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.43 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' THR . . . . . 0.401 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -101.53 -33.69 9.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.493 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 45.7 mt -91.22 -55.46 3.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.245 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.94 36.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.719 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.1 27.04 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.543 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.99 -73.58 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.693 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -60.08 -27.39 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.251 0.548 . . . . 0.0 109.658 179.05 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.434 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 0.4 OUTLIER -73.16 -47.42 43.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.408 179.092 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -66.69 -31.05 71.47 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.971 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' B' ' 104' ' ' GLN . 5.5 pt-20 -74.04 -39.34 63.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.133 0.492 . . . . 0.0 109.98 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.413 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 19.5 m-20 -70.91 -43.26 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' C' ' 19' ' ' LEU . 5.7 mt -59.29 -49.3 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.537 178.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' SER . . . . . 0.441 ' HA ' ' CD1' ' B' ' 113' ' ' LEU . 0.5 OUTLIER -54.54 -39.0 67.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.121 179.617 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.42 HD22 HG23 ' C' ' 12' ' ' VAL . 0.5 OUTLIER -56.72 -51.11 70.08 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.278 179.017 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.429 ' HA ' ' CG ' ' B' ' 115' ' ' LEU . 1.0 OUTLIER -60.37 -39.62 87.89 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.646 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 4.6 mt -60.74 -41.37 95.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.999 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.85 -53.07 60.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.804 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.489 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 0.9 OUTLIER -64.9 -35.2 80.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.559 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.403 HG12 HG12 ' B' ' 86' ' ' ILE . 49.3 t -69.09 -40.64 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.292 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 51.7 mt-30 -81.45 -13.02 58.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.91 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -53.01 123.05 10.59 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.639 0.257 . . . . 0.0 110.401 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -49.14 -59.43 3.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.61 -50.28 74.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.774 0.321 . . . . 0.0 111.005 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 6.1 t80 -56.25 -52.29 64.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.619 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -49.83 -38.06 33.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.44 ' O ' HG13 ' B' ' 127' ' ' ILE . 3.8 m-20 -65.89 -48.69 70.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.655 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.407 ' CB ' ' NE2' ' C' ' 54' ' ' GLN . . . -56.96 -49.63 75.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.444 ' HA ' ' CE1' ' C' ' 47' ' ' PHE . 26.2 t80 -59.76 -34.86 73.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.566 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -31.86 72.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.374 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' D' ' 123' ' ' ASN . 7.8 mt -67.01 -49.68 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.374 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.655 ' O ' ' HB ' ' B' ' 132' ' ' THR . 23.7 t-80 -69.92 -37.61 75.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.599 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.42 ' ND2' HG23 ' B' ' 83' ' ' ILE . 15.0 t-20 -55.46 -60.65 3.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.724 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.71 -49.04 72.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.663 0.268 . . . . 0.0 111.541 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.425 HG13 ' O ' ' B' ' 127' ' ' ILE . 79.3 mt -56.74 -41.63 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.151 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.655 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -61.28 -43.78 98.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.164 0.507 . . . . 0.0 109.704 179.031 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.402 HG21 HG22 ' B' ' 83' ' ' ILE . 46.7 t -52.94 -51.01 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.754 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . 0.405 ' CE1' ' HB3' ' B' ' 139' ' ' SER . 0.3 OUTLIER -63.3 -30.78 71.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.495 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 11.1 ttm -57.46 -61.93 2.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -70.19 -47.37 61.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.32 -30.03 69.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 60.71 -177.51 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' SER . . . . . 0.405 ' HB3' ' CE1' ' B' ' 134' ' ' HIS . 19.4 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.552 0.215 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.25 -27.37 56.06 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.435 2.09 . . . . 0.0 112.364 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.41 -31.16 72.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.009 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.12 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' C' ' 12' ' ' VAL . 5.3 mm-40 -60.79 -36.14 78.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.403 ' O ' ' HB ' ' C' ' 12' ' ' VAL . 3.0 tptm -64.78 -48.99 72.46 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 6.4 mmt -61.81 -36.02 79.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.428 ' O ' HG23 ' C' ' 15' ' ' VAL . 7.6 tm0? -70.92 -34.65 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.566 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.42 HG23 HD22 ' B' ' 111' ' ' LEU . 2.5 t -58.93 -51.28 74.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.426 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.44 ' HB3' ' CE2' ' C' ' 39' ' ' TYR . 16.0 mt -60.74 -45.07 95.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.959 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -28.56 69.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.662 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.428 HG23 ' O ' ' C' ' 11' ' ' GLN . 2.5 t -73.69 -36.73 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.902 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 11.6 mt -64.17 -40.57 96.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.51 -40.39 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -54.07 31.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.948 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' B' ' 109' ' ' ILE . 75.2 mt -54.98 -57.63 10.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.79 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . 0.428 ' HB3' ' CD1' ' C' ' 35' ' ' LEU . 1.1 ppt_? -55.09 -30.52 59.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.74 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.93 -46.85 88.13 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.812 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -61.49 -37.44 83.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 110.564 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 26.7 mt -62.93 -50.19 71.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.982 0.42 . . . . 0.0 110.366 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -27.97 65.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.063 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.32 -32.51 29.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.592 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -81.27 -31.06 33.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.176 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.23 21.52 3.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.632 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.44 81.93 1.7 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.874 0.368 . . . . 0.0 110.179 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.4 15.67 13.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.248 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 20.1 m -88.78 -43.31 11.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.396 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.411 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 3.1 mp0 -76.33 -26.67 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.789 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -51.45 -42.38 61.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.726 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.94 -32.64 66.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.133 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -72.57 -44.15 62.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.176 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' C' ' 35' ' ' LEU . 1.2 mt -64.37 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.48 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 m -77.16 -33.84 56.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.206 0.527 . . . . 0.0 109.965 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.24 -44.65 62.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.544 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.45 ' CD1' HD21 ' B' ' 89' ' ' LEU . 24.5 t80 -70.35 -44.32 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.36 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.466 ' CZ ' ' HD3' ' C' ' 43' ' ' LYS . 22.7 t80 -58.86 -53.67 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.029 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.423 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 6.3 mm-40 -58.94 -48.11 82.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.665 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 60.2 m -57.85 -40.64 80.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.505 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' C' ' 38' ' ' PHE . 1.7 mt -61.42 -32.79 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.213 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.466 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -72.41 -32.77 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.739 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -46.82 122.35 7.22 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.209 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.35 -37.65 59.36 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.513 2.142 . . . . 0.0 112.134 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.435 ' CD1' ' CG1' ' A' ' 57' ' ' ILE . 1.5 tp -64.76 -55.02 22.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.191 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' B' ' 125' ' ' PHE . 11.4 t80 -58.03 -42.15 84.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.323 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.92 -38.68 70.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.166 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.95 -40.55 96.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.092 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . 0.409 HG12 ' CD2' ' A' ' 53' ' ' LEU . 3.9 mt -59.32 -47.75 89.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.764 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.431 HD21 ' CZ ' ' C' ' 47' ' ' PHE . 0.5 OUTLIER -67.87 -42.8 80.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.385 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 68.4 m -55.18 -39.7 69.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.996 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . 0.403 ' CD2' HG12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -63.14 -49.33 74.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.999 179.073 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . 0.407 ' NE2' ' CB ' ' B' ' 124' ' ' ALA . 0.1 OUTLIER -58.97 -35.5 73.27 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.125 179.18 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -62.99 -37.97 89.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.045 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -52.72 63.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.071 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.433 ' CG1' ' CD1' ' A' ' 46' ' ' LEU . 56.5 mt -60.05 -41.62 86.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.178 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -35.39 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.94 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -66.25 -40.39 90.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.036 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.9 -45.1 82.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.44 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -63.01 -42.25 99.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.97 -24.72 63.61 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.761 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -82.47 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.748 0.309 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.46 115.59 3.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 62.1 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.927 0.394 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 177.89 39.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.75 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.6 101.97 14.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.156 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.498 ' CD1' ' CG2' ' D' ' 133' ' ' VAL . 1.1 pt -107.71 178.81 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.581 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.655 HD13 ' HG3' ' A' ' 34' ' ' LYS . 2.4 pt? -157.92 -0.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.0 OUTLIER 58.75 143.15 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.897 0.38 . . . . 0.0 110.899 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.623 ' HA ' ' CD2' ' D' ' 89' ' ' LEU . 0.8 OUTLIER -70.3 -36.75 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.365 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -38.38 88.55 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.649 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -43.92 32.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.782 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.623 ' CD2' ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -72.81 -28.26 62.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.827 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.497 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 25.6 t80 -70.37 -43.86 69.27 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 6.6 t -62.69 -34.88 78.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 92' ' ' SER . . . . . 0.448 ' CB ' ' HG2' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -62.89 -53.08 59.62 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.66 179.215 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.668 ' HA ' HD11 ' D' ' 96' ' ' ILE . 0.6 OUTLIER -53.77 -36.19 62.12 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -59.43 -45.22 92.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -66.37 -56.15 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.668 HD11 ' HA ' ' D' ' 93' ' ' LEU . 4.2 mt -50.9 -34.51 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.192 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -48.51 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -76.66 -19.21 58.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.45 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -84.81 -37.56 20.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.949 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' D' ' 105' ' ' SER . 44.4 mt -100.1 84.29 2.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.04 36.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.24 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -91.1 16.41 9.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.28 -68.34 0.19 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.211 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -57.45 -33.72 68.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.123 0.487 . . . . 0.0 110.415 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.426 ' CB ' ' HB3' ' D' ' 100' ' ' LEU . 0.2 OUTLIER -68.08 -41.39 81.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.596 179.591 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -34.1 74.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.059 0.457 . . . . 0.0 110.139 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -42.26 76.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.805 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . 0.431 ' HB3' HG11 ' A' ' 15' ' ' VAL . 58.1 m-20 -70.23 -41.81 73.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.613 0.72 . . . . 0.0 109.086 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.461 HG13 ' CD1' ' A' ' 19' ' ' LEU . 4.3 mt -60.69 -49.33 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.502 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 110' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' D' ' 113' ' ' LEU . 56.6 m -56.84 -33.54 66.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.107 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . 0.412 ' HA ' ' HG2' ' D' ' 114' ' ' GLN . 0.4 OUTLIER -59.71 -51.44 69.78 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.969 179.228 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . 0.426 ' CD2' HG12 ' A' ' 15' ' ' VAL . 4.0 mt -60.16 -43.92 95.42 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' D' ' 117' ' ' GLN . 4.0 mt -57.25 -46.45 83.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.347 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . 0.564 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -60.95 -38.6 86.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.841 -179.811 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.564 ' N ' ' HG3' ' D' ' 114' ' ' GLN . 6.1 mp -67.11 -44.23 80.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.475 ' CG1' HG21 ' D' ' 86' ' ' ILE . 71.1 t -58.87 -53.22 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.319 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.451 ' CG ' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -64.39 -25.1 67.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.224 -179.643 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.8 125.51 17.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 110.699 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -58.16 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.579 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.13 -50.33 71.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.149 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.1 t80 -56.44 -56.21 23.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.486 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -50.97 -33.73 25.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.618 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.447 ' HB3' ' CD1' ' B' ' 127' ' ' ILE . 16.8 m-20 -68.42 -46.36 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.031 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.1 -49.43 77.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.487 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.477 ' CE2' HD21 ' D' ' 84' ' ' LEU . 14.3 t80 -64.01 -34.7 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.704 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -35.03 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.496 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.442 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 55.4 mt -72.38 -49.73 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.002 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.646 ' O ' ' HB ' ' D' ' 132' ' ' THR . 3.7 t-80 -67.59 -36.53 81.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -66.56 -60.11 3.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.3 65.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . 0.456 HG21 HD11 ' D' ' 131' ' ' ILE . 70.1 mt -54.53 -45.67 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.401 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.646 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -57.18 -44.29 83.4 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.315 0.579 . . . . 0.0 109.746 179.1 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.498 ' CG2' ' CD1' ' D' ' 83' ' ' ILE . 46.4 t -57.29 -44.73 84.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.659 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -33.09 74.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.998 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 13.7 ttm -60.47 -46.03 91.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.547 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -67.48 -34.09 76.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.765 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -67.93 -63.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 61.34 114.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.956 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.507 0.194 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.46 -52.83 3.43 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.482 2.121 . . . . 0.0 112.133 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.98 -29.18 11.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.357 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.6 73.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.19 -54.03 20.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.6 tttp -54.83 -43.29 72.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.982 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.64 -48.28 81.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.994 0.426 . . . . 0.0 109.865 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.4 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 30.3 tp60 -64.06 -31.9 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.671 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 9' ' ' LYS . 57.9 t -61.21 -55.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.453 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' ' 42' ' ' LEU . 16.1 mt -54.01 -44.25 70.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.019 0.438 . . . . 0.0 110.031 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -28.61 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.604 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.41 HG13 ' CD2' ' D' ' 112' ' ' LEU . 2.2 t -73.87 -37.11 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.874 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' A' ' 39' ' ' TYR . 61.4 mt -64.05 -40.8 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.614 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -68.07 -44.1 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.827 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -54.5 40.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.026 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 71.7 mt -52.96 -56.53 15.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.437 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' CB ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -48.76 -37.85 20.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.974 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.78 -51.21 60.07 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.099 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.35 -34.91 69.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 111.157 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 21.8 mt -66.59 -50.34 63.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -27.69 64.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.398 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.75 -36.68 25.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.138 0.494 . . . . 0.0 110.223 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -76.01 -32.13 59.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.316 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.41 21.23 5.57 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.553 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.85 81.12 1.44 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.05 0.452 . . . . 0.0 109.98 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.85 21.25 6.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.209 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 m -93.69 -44.29 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.491 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -73.21 -25.6 60.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.544 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -48.69 -40.37 27.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.703 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.01 -32.93 68.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.073 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -74.91 -41.22 60.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.175 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -67.16 -34.88 78.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.228 179.485 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -75.87 -35.52 59.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.676 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.16 -41.93 73.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.131 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.45 ' HB2' ' CD2' ' D' ' 84' ' ' LEU . 3.0 t80 -71.47 -51.05 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.505 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.477 ' CE2' ' HD3' ' A' ' 43' ' ' LYS . 80.6 t80 -54.0 -54.3 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.539 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.3 -52.2 66.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.411 HG22 ' CD2' ' A' ' 47' ' ' PHE . 85.0 m -58.62 -36.09 73.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.944 0.402 . . . . 0.0 110.476 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -62.32 -32.22 72.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.115 179.115 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HD3' ' CE2' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -78.32 -30.61 48.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.298 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -43.42 140.34 2.28 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.667 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.33 -44.9 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.616 2.211 . . . . 0.0 112.403 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' CD1' HG12 ' C' ' 57' ' ' ILE . 0.4 OUTLIER -59.1 -55.21 37.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.153 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.411 ' CD2' HG22 ' A' ' 41' ' ' THR . 11.9 t80 -56.94 -40.28 76.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -57.43 -44.46 84.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.506 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -58.16 -38.9 77.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.263 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.3 mt -61.83 -52.49 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.909 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.58 -35.42 80.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.9 m -53.59 -50.19 66.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.285 0.564 . . . . 0.0 109.706 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.406 ' CD2' HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -58.89 -45.19 90.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.407 178.481 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -60.98 -31.8 71.38 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.799 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -61.04 -42.92 99.38 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.662 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -43.78 96.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.523 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.434 ' CG1' ' CD1' ' C' ' 46' ' ' LEU . 62.0 mt -60.24 -38.29 76.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.793 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -38.9 80.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.929 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.45 -40.03 94.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.272 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -55.22 -50.33 69.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.579 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -60.37 -42.59 96.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.85 -54.23 38.67 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -37.52 77.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.2 mt -75.12 87.98 2.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.749 0.309 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -172.54 49.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.077 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.9 160.1 27.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.706 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.429 ' CD1' ' N ' ' B' ' 83' ' ' ILE . 0.2 OUTLIER -92.92 -54.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.401 . . . . 0.0 110.892 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.405 ' HB2' ' HB2' ' C' ' 37' ' ' ALA . 2.8 tp 62.49 52.68 2.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 84' ' ' LEU . 5.1 mm-40 -37.39 126.12 1.05 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.645 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.563 HG13 HD22 ' B' ' 89' ' ' LEU . 0.9 OUTLIER -49.44 -27.43 2.74 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.651 -179.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.54 -40.81 96.27 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.246 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -37.96 33.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.143 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.563 HD22 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.2 -28.88 63.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.319 179.399 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 50.6 t80 -72.5 -50.0 29.0 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -28.92 69.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' SER . . . . . 0.422 ' C ' HD11 ' B' ' 96' ' ' ILE . 28.7 t -63.57 -53.44 51.74 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.456 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.515 HD22 ' N ' ' B' ' 93' ' ' LEU . 0.4 OUTLIER -58.84 -34.08 71.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -59.73 -42.96 94.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.438 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.434 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.5 t60 -68.33 -52.85 28.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.422 HD11 ' C ' ' B' ' 92' ' ' SER . 9.6 mt -51.68 -39.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.994 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -51.93 65.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -80.2 -4.6 53.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.418 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' THR . . . . . 0.402 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -96.76 -33.54 11.66 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.41 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.437 ' CD1' HD23 ' C' ' 19' ' ' LEU . 27.1 mt -90.96 -57.9 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.165 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.81 36.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.778 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -96.61 26.03 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.629 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' B' ' 106' ' ' GLN . 0.5 OUTLIER 66.51 -72.42 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.59 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -61.81 -29.11 69.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.153 0.502 . . . . 0.0 109.668 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.28 -46.32 56.31 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.76 179.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' B' ' 103' ' ' SER . 4.2 pt20 -63.77 -30.4 71.5 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.587 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -40.98 66.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 0.0 110.256 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.415 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 49.7 m-20 -70.67 -42.34 70.88 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.449 HG13 ' CD2' ' C' ' 19' ' ' LEU . 5.7 mt -60.73 -49.38 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.492 178.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' SER . . . . . 0.416 ' HA ' ' CD1' ' B' ' 113' ' ' LEU . 1.3 m -56.35 -34.89 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.095 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -51.56 69.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.211 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.406 ' CD2' HG11 ' C' ' 15' ' ' VAL . 2.4 mt -61.18 -43.04 99.5 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' B' ' 117' ' ' GLN . 4.4 mt -56.35 -49.74 73.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.681 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.416 ' HA ' ' CG ' ' B' ' 117' ' ' GLN . 6.3 mt-30 -60.93 -44.0 97.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.465 ' O ' ' CG ' ' B' ' 121' ' ' PHE . 3.0 mp -60.31 -41.45 93.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.737 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.425 ' CG1' HG21 ' B' ' 86' ' ' ILE . 64.5 t -65.09 -53.6 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.534 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' B' ' 113' ' ' LEU . 0.1 OUTLIER -65.54 -16.32 63.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.85 -179.28 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.95 131.54 44.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.824 0.345 . . . . 0.0 110.642 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.36 -58.69 7.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.59 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.52 -48.64 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' B' ' 115' ' ' LEU . 12.2 t80 -55.74 -53.26 58.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.57 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 1.4 mt-30 -49.76 -40.18 40.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.383 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -59.95 -45.67 91.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.82 98.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.439 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 3.5 t80 -64.41 -36.54 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.203 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 2.9 mmtt -68.26 -40.79 81.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.993 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.433 HD13 HD11 ' D' ' 127' ' ' ILE . 6.1 mt -60.92 -49.92 82.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.097 0.475 . . . . 0.0 110.607 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.692 ' O ' ' HB ' ' B' ' 132' ' ' THR . 28.0 t-80 -69.55 -35.37 75.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.449 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.407 ' ND2' ' CG2' ' B' ' 83' ' ' ILE . 9.7 t-20 -55.36 -60.48 3.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.579 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.82 -49.74 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.627 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 81.8 mt -56.74 -47.11 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.237 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.692 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -55.51 -47.81 75.65 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.316 0.579 . . . . 0.0 109.563 179.092 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 63.3 t -55.27 -48.28 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.464 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.14 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -44.23 83.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.514 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.58 -52.73 63.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -70.53 -55.11 9.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 61.83 105.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.085 -0.96 . . . . 0.0 111.01 -179.913 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.545 0.212 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -63.85 -27.62 67.4 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.456 2.104 . . . . 0.0 112.4 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.99 -30.95 65.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.98 99.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.96 -49.03 76.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 7.0 ttpt -58.5 -43.3 89.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 2.4 mmt -61.02 -45.05 96.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.862 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.401 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 31.8 tp60 -67.46 -33.78 75.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.5 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.71 -52.58 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.819 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.431 ' HB3' ' CE2' ' C' ' 39' ' ' TYR . 13.6 mt -58.11 -40.69 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.384 . . . . 0.0 110.14 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -28.53 64.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.684 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' B' ' 108' ' ' ASP . 2.1 t -72.23 -41.0 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.767 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.07 -41.46 97.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.49 -40.88 96.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.532 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -69.7 -54.45 13.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.449 ' CD2' HG13 ' B' ' 109' ' ' ILE . 77.1 mt -54.37 -55.45 28.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.13 0.491 . . . . 0.0 110.337 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . 0.45 ' HG2' ' HA ' ' C' ' 32' ' ' ASN . 4.1 tmm_? -52.37 -41.02 62.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.139 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.26 97.28 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.196 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -66.98 -32.55 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.946 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 41.6 mt -67.73 -50.77 55.6 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.17 0.509 . . . . 0.0 110.168 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -26.67 68.88 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.177 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.99 -34.84 26.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.625 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.33 -29.29 42.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.434 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.37 14.25 4.99 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.708 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -108.05 79.82 1.31 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.977 0.418 . . . . 0.0 109.953 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.77 23.7 4.61 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.202 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.9 m -102.43 -54.58 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.124 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.434 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 2.1 mm-40 -74.84 -21.11 59.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.548 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . 0.45 ' HA ' ' HG2' ' C' ' 20' ' ' ARG . 0.0 OUTLIER -55.26 -34.24 63.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.038 0.447 . . . . 0.0 110.272 179.548 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -32.9 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.57 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -65.17 -44.64 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.739 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 mt -62.78 -31.97 73.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.456 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 50.2 m -75.77 -34.64 60.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.924 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' B' ' 84' ' ' LEU . . . -71.82 -45.73 60.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.355 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.427 ' CD2' HD12 ' C' ' 42' ' ' LEU . 51.3 t80 -66.61 -50.96 61.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.175 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.496 ' CZ ' ' HD3' ' C' ' 43' ' ' LYS . 8.7 t80 -54.95 -53.7 52.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.063 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.481 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 2.0 mt-10 -57.96 -48.8 78.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.772 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' THR . . . . . 0.4 HG21 ' CD2' ' C' ' 47' ' ' PHE . 91.3 m -53.77 -39.9 65.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.302 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.427 HD12 ' CD2' ' C' ' 38' ' ' PHE . 4.5 mt -63.66 -33.56 75.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.202 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.496 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 3.0 mmmt -69.99 -29.6 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.759 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -45.76 133.95 6.5 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.264 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.03 -47.53 2.36 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.501 2.134 . . . . 0.0 112.178 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.434 ' CD1' ' CG1' ' A' ' 57' ' ' ILE . 2.1 tp -62.73 -52.06 64.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.226 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.4 ' CD2' HG21 ' C' ' 41' ' ' THR . 13.2 t80 -55.39 -43.51 75.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.512 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -57.15 -39.59 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.319 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.27 -37.72 88.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.501 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . 0.406 HG12 ' CD2' ' A' ' 53' ' ' LEU . 3.3 mt -61.7 -46.49 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.469 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -39.58 94.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.082 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 26.5 m -53.72 -46.58 70.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.985 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.21 -45.1 94.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.797 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -35.94 75.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.262 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -63.12 -39.2 94.0 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.138 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 45.8 t -60.81 -46.45 90.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.867 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.417 HG12 ' CD1' ' A' ' 46' ' ' LEU . 7.5 mt -60.93 -35.25 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.12 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -60.14 -40.61 90.41 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.751 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.8 -43.59 98.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.959 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.12 -50.94 57.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.508 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -48.26 78.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.044 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.3 -10.71 79.09 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 113.017 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' C' ' 65' ' ' SER . 2.5 mt-30 -120.03 -80.05 0.61 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.857 0.328 . . . . 0.0 111.255 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 52.37 -87.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.17 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' SER . . . . . 0.428 ' N ' ' O ' ' C' ' 63' ' ' GLN . 10.7 t . . . . . 0 C--N 1.332 -0.193 0 CA-C-O 120.886 0.374 . . . . 0.0 110.701 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.716 0.294 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m 42.95 38.73 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.715 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.72 133.42 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.502 ' CD1' ' CG2' ' D' ' 133' ' ' VAL . 0.3 OUTLIER -89.28 -166.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.022 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.451 HD23 ' CZ ' ' D' ' 125' ' ' PHE . 56.9 tp -157.68 -39.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 111.306 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.26 100.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.044 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.563 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 0.8 OUTLIER -49.99 -24.96 2.13 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.7 -179.166 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.37 -48.98 77.37 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.85 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -74.69 -36.26 62.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.757 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.492 ' CD2' HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -70.57 -28.75 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.618 179.601 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.1 t80 -71.86 -48.95 42.39 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 27.1 t -62.0 -28.96 69.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.697 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 92' ' ' SER . . . . . 0.403 ' O ' ' CD1' ' D' ' 96' ' ' ILE . 2.3 t -64.71 -53.54 45.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.818 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.667 ' HA ' HD13 ' D' ' 96' ' ' ILE . 0.6 OUTLIER -57.83 -37.71 74.33 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.849 0.357 . . . . 0.0 110.304 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -59.22 -43.24 92.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.822 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -68.57 -53.97 19.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.667 HD13 ' HA ' ' D' ' 93' ' ' LEU . 5.4 mt -50.68 -37.47 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.048 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -48.82 74.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.752 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -1.98 52.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.409 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.6 m -100.54 -34.37 9.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.577 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . . . . . . . . . 15.0 mt -87.62 -53.95 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.413 . . . . 0.0 110.226 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.84 37.1 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.646 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.2 OUTLIER -97.56 23.14 8.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.743 179.651 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 33.1 t 65.8 -71.71 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.72 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' D' ' 102' ' ' ASP . 39.3 tp60 -60.9 -30.96 70.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.147 0.499 . . . . 0.0 109.94 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.424 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 0.4 OUTLIER -70.8 -39.65 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.475 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.71 -36.04 82.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.948 0.404 . . . . 0.0 110.261 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.57 -40.46 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.752 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . 0.407 ' HB3' HG12 ' A' ' 15' ' ' VAL . 41.5 m-20 -70.7 -44.16 67.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.451 HG13 ' CD1' ' A' ' 19' ' ' LEU . 4.2 mt -58.72 -49.41 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.428 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 110' ' ' SER . . . . . 0.415 ' HA ' HD13 ' D' ' 113' ' ' LEU . 70.8 m -57.35 -34.77 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.024 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -51.34 69.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.941 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . 0.41 ' CD2' HG13 ' A' ' 15' ' ' VAL . 1.1 mt -63.73 -40.18 96.12 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.439 178.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' D' ' 110' ' ' SER . 5.8 mt -59.17 -40.49 85.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.616 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -52.49 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.43 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.479 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 0.7 OUTLIER -60.27 -50.66 72.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.299 0.571 . . . . 0.0 109.72 179.133 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.422 ' CG1' HG12 ' D' ' 86' ' ' ILE . 89.2 t -54.3 -40.85 49.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.442 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.433 ' NE2' ' CE1' ' D' ' 90' ' ' PHE . 70.9 mt-30 -86.54 -7.8 58.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.646 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.87 131.64 47.28 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.778 0.323 . . . . 0.0 110.429 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -58.61 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.682 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.31 -50.05 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.414 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.1 t80 -55.73 -55.63 29.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.785 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -54.48 -35.06 62.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.231 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.576 ' O ' HG13 ' D' ' 127' ' ' ILE . 97.0 m-20 -61.08 -51.41 69.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.793 0.33 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.32 -49.1 75.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.214 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.454 ' CG ' HD12 ' D' ' 86' ' ' ILE . 1.7 t80 -53.64 -41.52 66.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -36.38 83.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.455 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.576 HG13 ' O ' ' D' ' 123' ' ' ASN . 13.8 mt -63.2 -49.71 82.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.082 0.468 . . . . 0.0 110.427 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.776 ' O ' ' HB ' ' D' ' 132' ' ' THR . 13.5 t-80 -66.13 -27.87 68.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.694 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -64.87 -60.62 2.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.734 0.302 . . . . 0.0 111.662 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.22 -50.72 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.945 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . 0.464 HD11 HG23 ' D' ' 131' ' ' ILE . 54.0 mt -53.81 -40.29 43.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.243 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.776 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.6 OUTLIER -63.3 -50.58 69.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.329 0.585 . . . . 0.0 109.484 178.789 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.502 ' CG2' ' CD1' ' D' ' 83' ' ' ILE . 53.7 t -55.42 -50.08 68.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.9 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.33 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.296 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.13 -54.33 48.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.815 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -69.45 -35.07 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -54.5 46.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 59.63 -179.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.915 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.572 0.225 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -59.62 -53.26 3.5 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.435 2.09 . . . . 0.0 112.058 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.72 -28.8 23.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.241 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.9 -37.53 74.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.036 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -58.21 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.73 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 7.6 ttpt -57.7 -41.79 82.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.53 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -42.69 98.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -69.27 -33.37 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.496 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.45 -56.15 19.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.291 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 24.3 mt -53.86 -47.33 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.004 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -28.19 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.729 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' D' ' 108' ' ' ASP . 2.1 t -73.93 -36.79 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.132 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.0 mt -64.32 -41.89 96.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -39.24 74.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.772 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -54.09 28.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.999 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' D' ' 109' ' ' ILE . 66.4 mt -55.37 -57.78 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.028 0.442 . . . . 0.0 110.759 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 4.4 ppt_? -55.01 -30.17 58.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.71 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.26 -48.85 65.33 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.865 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -60.95 -32.93 72.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.38 . . . . 0.0 110.433 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' HB3' ' O ' ' A' ' 28' ' ' ASP . 39.6 mt -65.1 -50.4 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.455 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -27.02 64.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.895 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.19 -29.39 31.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.517 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.08 -38.32 20.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.448 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.96 -17.92 5.96 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.919 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.475 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 8.8 m-20 -92.93 68.88 4.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.032 0.444 . . . . 0.0 110.02 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.5 t -86.07 13.34 7.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.642 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.22 -35.32 73.8 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.627 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.405 ' HG2' ' CD2' ' D' ' 95' ' ' HIS . 2.6 mp0 -79.94 -22.73 42.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.714 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 29' ' ' THR . 2.8 m-20 -48.51 -46.11 38.06 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.82 0.343 . . . . 0.0 110.633 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -32.52 66.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.903 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -72.14 -36.57 69.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.264 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 1.0 OUTLIER -70.24 -39.84 74.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.0 p -72.23 -37.63 69.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.393 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.18 -47.13 87.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.605 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.458 ' HB2' ' CD2' ' D' ' 84' ' ' LEU . 4.3 t80 -69.77 -36.22 75.57 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.262 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.607 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -53.87 -54.08 43.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.357 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.88 -52.16 52.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.006 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.9 m -53.04 -27.83 21.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.826 0.346 . . . . 0.0 110.532 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 38' ' ' PHE . 5.9 mt -75.51 -39.07 58.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HE3' ' CD1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -67.35 -24.95 65.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -46.71 119.74 5.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.388 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.37 -45.34 12.08 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.531 2.154 . . . . 0.0 111.945 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.409 ' CD1' ' CG1' ' C' ' 57' ' ' ILE . 0.5 OUTLIER -59.86 -44.73 94.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.004 179.501 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' D' ' 125' ' ' PHE . 16.0 t80 -57.8 -45.22 86.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.473 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -56.73 -40.04 75.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.485 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -61.01 -40.59 94.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.508 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.9 mt -60.25 -48.44 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.747 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -40.68 95.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.446 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.7 m -53.6 -47.17 70.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.018 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.24 -45.54 87.56 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.669 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -60.93 -33.93 73.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.82 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -41.13 90.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.763 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 m -61.3 -49.13 78.27 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.867 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.455 HG12 ' CD1' ' C' ' 46' ' ' LEU . 15.0 mt -61.63 -37.55 78.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.967 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -35.98 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.016 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -58.46 -61.28 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.836 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.448 ' CB ' ' HG ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -49.43 -46.2 47.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.567 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HG2' ' HG3' ' B' ' 135' ' ' MET . 5.8 mtmt -47.99 -44.45 30.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.724 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.76 15.73 37.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.799 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -143.84 20.84 1.81 Allowed 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' HG ' ' CB ' ' A' ' 60' ' ' LEU . 13.0 mt -100.66 45.88 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.964 0.412 . . . . 0.0 110.722 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.7 p . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 -179.812 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.772 0.32 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 32.7 m -155.31 39.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.405 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -72.39 135.4 45.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.62 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' B' ' 83' ' ' ILE . 0.2 OUTLIER -92.21 -61.42 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 0.0 111.019 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.41 HD22 ' CA ' ' C' ' 38' ' ' PHE . 2.7 tp 63.52 53.17 2.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.15 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -41.11 128.2 2.8 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.492 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.466 ' HA ' HD22 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -49.43 -24.99 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.832 -178.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.87 -45.95 87.12 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.339 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -36.09 53.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.037 0.446 . . . . 0.0 109.942 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.48 -30.22 64.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.675 179.7 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' B' ' 86' ' ' ILE . 15.3 t80 -72.47 -45.8 57.84 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 23.1 m -63.06 -31.4 72.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.532 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' SER . . . . . 0.405 ' O ' ' CD1' ' B' ' 96' ' ' ILE . 1.5 m -63.07 -53.27 56.33 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.305 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.672 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.6 OUTLIER -56.46 -34.87 67.28 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.195 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -59.19 -44.4 92.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.616 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.423 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 2.2 t60 -67.18 -55.5 13.86 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' B' ' 93' ' ' LEU . 4.0 mt -50.78 -34.03 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.033 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -65.57 -50.11 66.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.707 179.576 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -75.91 -20.25 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.07 0.462 . . . . 0.0 110.427 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -83.4 -36.7 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.922 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.44 ' HB3' ' CB ' ' B' ' 105' ' ' SER . 54.5 mt -103.83 82.72 2.03 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.9 37.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.32 -178.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.16 17.87 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.098 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m 68.99 -68.31 0.19 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.185 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -34.68 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.951 0.405 . . . . 0.0 110.379 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.44 ' CB ' ' HB3' ' B' ' 100' ' ' LEU . 0.1 OUTLIER -67.82 -40.62 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.605 179.571 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -32.93 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 110.145 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.42 -41.71 72.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.693 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.404 ' HB3' HG12 ' C' ' 15' ' ' VAL . 7.8 m-20 -70.27 -43.39 70.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.457 HG13 ' CD1' ' C' ' 19' ' ' LEU . 4.5 mt -60.28 -49.3 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.507 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 21.7 m -55.71 -34.77 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.841 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -50.99 71.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.769 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.4 ' CD2' HG13 ' C' ' 15' ' ' VAL . 3.2 mt -60.8 -40.7 93.64 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.311 0.577 . . . . 0.0 109.465 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' B' ' 93' ' ' LEU . 4.0 mt -62.51 -40.52 97.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.611 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.559 ' HG3' ' N ' ' B' ' 115' ' ' LEU . 0.0 OUTLIER -63.93 -37.68 88.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.178 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.559 ' N ' ' HG3' ' B' ' 114' ' ' GLN . 3.6 mp -70.55 -53.41 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.431 0.634 . . . . 0.0 109.36 178.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.462 ' CG1' HG12 ' B' ' 86' ' ' ILE . 45.0 t -58.75 -34.95 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.55 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.42 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 38.7 mt-30 -87.4 -16.3 35.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.664 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.46 148.85 18.26 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.667 0.27 . . . . 0.0 110.636 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -58.96 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.152 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -59.92 -43.95 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.755 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 10.0 t80 -57.93 -56.37 22.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.419 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -50.01 -35.93 26.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.032 0.444 . . . . 0.0 110.418 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.427 ' HB3' HG12 ' D' ' 127' ' ' ILE . 4.2 m-20 -61.59 -47.8 83.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.629 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' B' ' 127' ' ' ILE . . . -62.52 -49.25 76.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.297 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.484 ' HA ' ' CE2' ' C' ' 47' ' ' PHE . 7.6 t80 -62.06 -36.54 81.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.293 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 0.1 OUTLIER -64.47 -40.45 95.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.881 0.372 . . . . 0.0 110.581 -179.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.448 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 7.0 mt -61.07 -49.85 82.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.115 0.483 . . . . 0.0 110.634 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.736 ' O ' ' HB ' ' B' ' 132' ' ' THR . 38.8 t-80 -65.56 -40.28 92.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.199 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.42 ' HA ' HG22 ' B' ' 83' ' ' ILE . 0.0 OUTLIER -55.18 -56.08 24.0 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' B' ' 129' ' ' ASN . . . -68.35 -51.72 41.28 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.424 ' CG2' ' CG2' ' A' ' 57' ' ' ILE . 66.1 mt -56.82 -42.93 78.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.318 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.736 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -58.72 -47.3 85.04 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.436 0.636 . . . . 0.0 109.341 178.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.407 ' N ' ' CG2' ' B' ' 132' ' ' THR . 86.3 t -52.54 -50.75 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.735 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -64.31 -30.81 71.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.885 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' MET . . . . . 0.4 ' HG3' ' HG2' ' A' ' 61' ' ' LYS . 34.3 ttm -51.49 -58.21 6.9 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.842 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -71.63 -31.99 67.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -71.29 -75.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 62.0 102.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.927 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.715 0.293 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -63.68 -45.11 11.81 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.661 2.24 . . . . 0.0 111.774 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.24 -28.28 11.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.264 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.62 -43.7 89.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -59.28 -55.37 35.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.704 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.0 OUTLIER -60.4 -39.9 89.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.376 179.52 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.7 mmt -61.34 -44.82 96.54 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.407 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 26.6 tp60 -65.03 -36.5 84.56 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 69.6 t -59.59 -49.87 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.543 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' C' ' 9' ' ' LYS . 13.7 mt -57.4 -42.15 81.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -68.05 -28.52 67.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.53 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.407 ' CG2' ' NE2' ' C' ' 11' ' ' GLN . 6.4 t -73.38 -38.41 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.716 179.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 28.5 mt -64.17 -40.15 95.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.79 -43.12 69.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -65.33 -54.15 33.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.457 ' CD1' HG13 ' B' ' 109' ' ' ILE . 60.9 mt -52.4 -57.18 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.001 0.429 . . . . 0.0 110.619 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . 0.442 ' HG3' ' HB2' ' C' ' 35' ' ' LEU . 0.0 OUTLIER -51.62 -37.77 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.039 179.85 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.44 -45.92 94.75 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.948 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -62.63 -35.59 80.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.826 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 26.9 mt -65.58 -50.13 66.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.366 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . 0.408 ' CG ' ' ND2' ' C' ' 32' ' ' ASN . 0.0 OUTLIER -58.61 -28.46 65.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.073 179.219 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.6 -32.54 28.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.381 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.89 -31.75 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.288 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.79 24.1 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.54 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -118.05 81.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.01 0.433 . . . . 0.0 110.16 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.69 14.96 17.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.382 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 4.0 m -85.38 -44.43 12.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.309 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.423 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 1.5 mm-40 -78.75 -21.54 47.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.572 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . 0.408 ' ND2' ' CG ' ' C' ' 24' ' ' GLN . 22.8 m-20 -53.09 -46.13 68.52 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.0 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -56.7 -32.75 65.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.115 0.483 . . . . 0.0 110.227 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -69.44 -43.93 72.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.289 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.442 ' HB2' ' HG3' ' C' ' 20' ' ' ARG . 3.1 mt -61.16 -30.54 70.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.533 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -36.55 63.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' B' ' 84' ' ' LEU . . . -69.53 -50.0 49.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.337 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.426 ' CE2' HD11 ' C' ' 42' ' ' LEU . 40.7 t80 -63.48 -50.53 69.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.416 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' C' ' 13' ' ' LEU . 1.7 t80 -55.83 -53.44 56.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.929 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -42.37 88.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.367 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' THR . . . . . 0.475 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 93.3 m -61.68 -41.05 97.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.159 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' C' ' 38' ' ' PHE . 5.4 mt -62.6 -30.37 71.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.132 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -84.69 -27.84 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.579 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 74.6 m -43.74 139.52 2.79 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.597 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -59.96 -55.01 1.85 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.553 2.168 . . . . 0.0 112.216 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 57' ' ' ILE . 3.1 mm? -57.05 -54.97 40.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.936 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' B' ' 125' ' ' PHE . 10.5 t80 -50.83 -47.29 60.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.343 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.48 -40.52 71.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.751 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -65.97 -36.05 82.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . 0.432 HG13 ' O ' ' C' ' 46' ' ' LEU . 3.0 mt -62.43 -41.02 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.447 ' CD2' ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -70.92 -37.71 72.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.32 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 10.2 m -54.35 -46.97 73.06 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.22 -47.81 84.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.781 178.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -32.84 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.829 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.7 -38.32 90.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.662 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 6.1 t -60.7 -48.19 82.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.857 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.463 HD12 HG22 ' C' ' 57' ' ' ILE . 44.4 mt -59.86 -39.3 79.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.143 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -36.97 74.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.896 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.08 -38.21 85.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.1 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.25 -45.26 84.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.525 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -65.31 -41.6 93.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.115 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.72 -21.57 66.01 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.077 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -88.08 -38.87 15.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.708 0.289 . . . . 0.0 111.22 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 47.7 mt -58.06 -99.85 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 120.821 0.344 . . . . 0.0 111.389 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.76 0.314 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 28.3 m -143.08 32.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.183 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.54 141.86 8.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.696 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.48 ' CD1' ' N ' ' D' ' 83' ' ' ILE . 0.0 OUTLIER -107.91 -95.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.22 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 38' ' ' PHE . 11.2 tp 166.92 -39.65 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.71 0.29 . . . . 0.0 110.981 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 63.06 113.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.237 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.508 HG13 HD22 ' D' ' 89' ' ' LEU . 0.9 OUTLIER -55.97 -27.25 22.56 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.692 -179.291 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.64 -47.85 81.94 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.372 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -34.59 56.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.869 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.508 HD22 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.08 -29.65 64.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.541 179.476 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.5 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.2 t80 -72.48 -50.05 28.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.885 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 28.8 t -61.45 -31.07 71.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.485 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 92' ' ' SER . . . . . 0.429 ' C ' HD12 ' D' ' 96' ' ' ILE . 73.5 m -62.36 -53.12 59.6 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.427 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 1.1 mt -54.62 -37.93 66.2 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' D' ' 90' ' ' PHE . 2.3 mptm? -59.29 -38.7 80.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.39 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.7 t60 -69.9 -54.36 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' D' ' 93' ' ' LEU . 7.7 mt -50.88 -39.08 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.945 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -50.73 67.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.844 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -4.05 53.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.38 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 99' ' ' THR . . . . . 0.43 ' N ' ' O ' ' D' ' 95' ' ' HIS . 1.4 m -96.71 -35.1 11.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.43 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.404 ' CD1' ' HB3' ' D' ' 105' ' ' SER . 83.0 mt -91.51 -60.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.48 46.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.916 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' D' ' 103' ' ' SER . 0.5 OUTLIER -94.8 -63.53 1.16 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.17 179.251 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 103' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' D' ' 102' ' ' ASP . 5.3 t 159.74 -60.39 0.0 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.671 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -71.21 -33.08 69.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.307 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.407 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 3.0 m -72.1 -35.09 69.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.32 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.96 -42.38 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.057 0.456 . . . . 0.0 110.151 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.8 -38.64 86.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.215 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . 0.441 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 84.9 m-20 -70.74 -41.17 72.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.607 0.717 . . . . 0.0 109.164 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.459 HG13 ' CD2' ' A' ' 19' ' ' LEU . 6.7 mt -60.29 -50.07 81.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.555 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -33.21 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.715 179.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.81 -51.36 69.28 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.67 178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . 0.424 ' CD2' HG13 ' A' ' 15' ' ' VAL . 2.4 mt -63.24 -43.99 96.47 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.411 178.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' D' ' 117' ' ' GLN . 8.3 mt -55.92 -40.61 73.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.778 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.83 -52.23 65.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.613 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.476 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 0.7 OUTLIER -60.92 -50.37 73.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.352 0.596 . . . . 0.0 109.999 179.166 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.449 ' CG1' HG12 ' D' ' 86' ' ' ILE . 51.1 t -58.21 -37.92 65.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.69 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.443 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 43.1 mt-30 -86.17 -10.26 55.07 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.68 134.7 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.854 0.359 . . . . 0.0 110.553 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -58.6 7.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.255 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.63 -50.03 75.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 6.4 t80 -55.99 -48.12 76.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -54.78 -38.98 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.176 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.53 ' O ' HG13 ' D' ' 127' ' ' ILE . 79.5 m-20 -63.7 -51.98 62.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.54 75.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.255 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.463 ' CG ' ' CD1' ' D' ' 86' ' ' ILE . 12.9 t80 -54.59 -40.59 68.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.744 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' D' ' 126' ' ' LYS . 0.0 OUTLIER -64.34 -33.86 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.463 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.53 HG13 ' O ' ' D' ' 123' ' ' ASN . 56.5 mt -64.38 -49.82 79.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.112 0.482 . . . . 0.0 110.544 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.758 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.0 t-80 -67.77 -28.31 67.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.036 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . 0.404 ' HA ' ' CG2' ' D' ' 83' ' ' ILE . 0.8 OUTLIER -67.43 -60.54 2.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.293 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.87 68.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . . . . . . . . . 46.8 mt -55.72 -42.87 71.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.186 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.758 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.3 OUTLIER -61.07 -49.02 79.05 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.392 0.615 . . . . 0.0 109.488 178.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.454 HG21 HD13 ' D' ' 83' ' ' ILE . 47.8 t -57.01 -45.35 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.439 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -33.44 75.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.322 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 14.3 ttm -59.66 -47.1 86.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.538 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -62.7 -50.43 71.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -48.48 81.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.034 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.64 124.69 27.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.561 0.22 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.3 -34.48 44.43 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.569 2.179 . . . . 0.0 112.277 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.54 -31.09 70.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.98 -28.18 64.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.034 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -64.35 -58.32 6.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.753 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -61.05 -44.72 96.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.454 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -40.21 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -69.46 -34.32 74.22 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.407 HG21 ' CD2' ' D' ' 111' ' ' LEU . 40.0 t -60.52 -55.81 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.516 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HB3' ' CE1' ' A' ' 39' ' ' TYR . 16.8 mt -56.84 -40.84 76.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.013 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -28.66 67.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.318 178.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG12 ' CD2' ' D' ' 112' ' ' LEU . 2.2 t -73.67 -37.61 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.78 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.32 -41.3 96.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -71.04 -36.27 72.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.753 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -54.49 20.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 92.0 mt -53.68 -48.39 69.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.998 0.428 . . . . 0.0 109.917 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -49.73 -51.41 39.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.632 179.331 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.92 -46.56 55.2 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.898 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -58.91 -31.77 68.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.661 0.267 . . . . 0.0 111.043 179.582 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 27.3 mt -72.99 -45.32 58.57 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.116 0.484 . . . . 0.0 110.428 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.85 -26.55 65.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.155 179.248 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.57 -33.76 27.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.698 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 2.2 mptt -83.31 -32.06 26.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.457 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.15 -18.99 11.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.732 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 9.0 m-20 -71.46 77.16 0.78 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.012 0.434 . . . . 0.0 110.192 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.18 13.34 9.7 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.923 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.4 m -83.4 -48.8 9.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.718 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.428 ' HG2' ' CD2' ' D' ' 95' ' ' HIS . 2.8 mp0 -73.47 -24.67 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.702 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -51.43 -46.45 62.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.693 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -56.91 -32.6 66.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.253 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -70.56 -37.21 73.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.282 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.61 -30.29 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.566 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -77.05 -33.14 57.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.002 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.0 -44.75 60.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.383 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.462 ' CD1' HD23 ' D' ' 89' ' ' LEU . 41.9 t80 -68.31 -51.53 43.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.383 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 13' ' ' LEU . 3.3 t80 -54.06 -51.95 62.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.562 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.54 -51.78 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 111.078 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.458 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 89.5 m -54.17 -49.12 70.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.509 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.448 ' CD1' ' CE2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -54.02 -35.45 61.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.529 179.328 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.445 ' CD ' ' CE1' ' A' ' 39' ' ' TYR . 18.6 mtpt -79.6 -33.74 41.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.62 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.7 p -47.12 140.89 6.39 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.223 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.85 -38.03 5.89 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.522 2.148 . . . . 0.0 112.193 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.4 HD13 HG12 ' C' ' 57' ' ' ILE . 0.4 OUTLIER -62.05 -55.32 30.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.199 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CD2' ' CG2' ' A' ' 41' ' ' THR . 11.0 t80 -59.21 -42.73 91.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.218 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -56.09 -39.37 72.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.382 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -42.83 99.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.197 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.3 mt -58.46 -49.26 82.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.938 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.429 HD22 ' CZ ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -66.06 -34.55 78.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.157 179.714 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -53.46 -49.68 66.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.822 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' CD2' HG12 ' C' ' 50' ' ' ILE . 0.5 OUTLIER -61.29 -44.98 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.485 178.627 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -32.91 70.69 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.921 179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -37.97 87.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.009 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -48.99 79.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.905 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.424 ' CG1' ' CD1' ' C' ' 46' ' ' LEU . 70.3 mt -60.55 -35.75 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.926 178.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -36.29 76.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.716 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.33 -37.11 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.098 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.54 -47.5 79.28 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.636 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -64.3 -58.86 5.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.984 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.57 -42.22 83.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.774 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -65.49 -53.39 43.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.673 0.273 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.2 145.64 46.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.96 0.409 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.763 -179.895 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.528 ' O ' ' CG1' ' B' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 120.99 0.424 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' B' ' 80' ' ' ALA . 9.7 m -164.02 -55.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.714 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp 52.79 102.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.234 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.517 ' CD1' ' CG2' ' B' ' 133' ' ' VAL . 1.3 mt -63.99 -146.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.171 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.456 ' HB2' ' HB3' ' C' ' 37' ' ' ALA . 7.6 tp -179.82 -36.36 0.01 OUTLIER 'General case' 0 C--O 1.231 0.096 0 O-C-N 122.241 -0.287 . . . . 0.0 111.276 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 56.73 105.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.311 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.539 HG13 ' CD2' ' B' ' 89' ' ' LEU . 1.0 OUTLIER -50.02 -24.98 2.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.344 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.04 -40.87 91.33 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.928 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . 0.426 ' HB3' ' HE2' ' C' ' 34' ' ' LYS . 1.0 OUTLIER -80.86 -37.66 29.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.584 178.516 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.539 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -69.53 -32.52 71.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.431 179.382 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 9.3 t80 -72.67 -50.03 27.66 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.901 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.1 m -62.12 -30.42 71.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -53.02 61.44 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.372 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.517 HD22 ' N ' ' B' ' 93' ' ' LEU . 0.8 OUTLIER -56.07 -37.15 68.93 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . 0.4 ' HA ' ' HG2' ' B' ' 97' ' ' GLN . 70.5 mmtt -59.89 -37.76 80.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.856 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.481 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.2 t60 -72.32 -49.9 30.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' B' ' 93' ' ' LEU . 9.2 mt -53.62 -43.32 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.454 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.414 ' HA ' ' CD1' ' B' ' 109' ' ' ILE . 10.8 pt20 -64.56 -41.19 96.47 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.468 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 29.8 t-80 -86.38 -0.7 56.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' THR . . . . . 0.427 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.2 m -102.28 -35.82 8.71 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.432 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.428 ' CD1' HD22 ' C' ' 19' ' ' LEU . 75.4 mt -88.39 -53.91 4.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.477 . . . . 0.0 109.831 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.57 43.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.008 178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' B' ' 103' ' ' SER . 4.6 m-20 -95.3 -63.76 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.055 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 102' ' ' ASP . 1.2 m 159.26 -58.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.964 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -29.94 66.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.557 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.42 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 0.2 OUTLIER -72.26 -38.24 68.89 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.577 179.251 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -42.52 93.87 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.07 0.462 . . . . 0.0 110.517 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -38.55 85.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.146 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.411 ' HB3' HG12 ' C' ' 15' ' ' VAL . 0.5 OUTLIER -70.72 -41.19 72.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.683 0.754 . . . . 0.0 109.13 178.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.445 HG13 ' CD2' ' C' ' 19' ' ' LEU . 8.3 mt -61.63 -49.9 82.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.567 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' SER . . . . . 0.403 ' HA ' ' CD1' ' B' ' 113' ' ' LEU . 1.8 t -56.16 -37.07 69.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.008 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.58 -51.22 69.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.881 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.41 ' O ' ' CG2' ' B' ' 116' ' ' VAL . 2.2 mt -62.69 -44.03 97.28 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.42 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 9.0 mt -54.74 -41.69 70.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.835 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.66 -51.98 66.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.973 0.416 . . . . 0.0 110.576 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.445 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.6 mp -59.57 -47.53 85.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.259 0.552 . . . . 0.0 110.224 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.451 ' CG1' HG22 ' B' ' 86' ' ' ILE . 48.5 t -58.91 -39.84 78.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.696 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.443 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 52.1 mt-30 -82.55 -13.16 57.07 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 130.67 48.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.645 0.26 . . . . 0.0 110.534 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -59.27 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 111.54 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -48.07 80.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.806 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.4 t80 -55.72 -49.42 73.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.687 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -39.58 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.412 ' HB3' HG12 ' D' ' 127' ' ' ILE . 2.5 m-20 -65.33 -43.17 91.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.071 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.442 ' HA ' ' CD1' ' B' ' 127' ' ' ILE . . . -62.34 -49.49 75.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.076 0.465 . . . . 0.0 110.971 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.457 ' CD1' HD12 ' B' ' 86' ' ' ILE . 11.2 t80 -61.6 -34.93 76.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.604 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 0.0 OUTLIER -63.9 -38.15 90.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.255 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.466 HG12 ' HB3' ' D' ' 123' ' ' ASN . 9.2 mt -62.12 -49.79 82.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.117 0.484 . . . . 0.0 110.331 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.632 ' O ' ' HB ' ' B' ' 132' ' ' THR . 17.4 t-80 -65.38 -28.03 68.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.176 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.57 -61.19 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.81 -50.61 64.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.652 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.428 HD11 HG21 ' B' ' 131' ' ' ILE . 54.9 mt -53.62 -42.63 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.519 0.199 . . . . 0.0 110.811 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.632 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.7 OUTLIER -57.86 -49.83 75.38 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.488 0.661 . . . . 0.0 109.389 178.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.517 ' CG2' ' CD1' ' B' ' 83' ' ' ILE . 24.5 t -53.79 -46.08 62.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.27 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.309 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -60.38 3.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.982 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -58.47 -45.39 88.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -30.63 69.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -80.33 170.24 16.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.536 0.208 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.93 -28.45 80.96 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.592 2.195 . . . . 0.0 112.303 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.52 -31.6 70.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.015 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.75 -31.6 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.019 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -66.12 -56.87 9.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -43.1 93.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 5.8 mmt -61.71 -53.24 58.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.401 ' O ' ' CG2' ' C' ' 15' ' ' VAL . 30.4 tp60 -57.69 -39.13 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.686 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 24.8 t -54.78 -54.01 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.451 ' HB3' ' CE2' ' C' ' 39' ' ' TYR . 11.6 mt -53.66 -42.5 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.013 0.435 . . . . 0.0 110.146 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -28.09 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.859 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.411 HG12 ' HB3' ' B' ' 108' ' ' ASP . 80.1 t -73.22 -39.37 56.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.051 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 16.9 mt -64.75 -43.2 94.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.102 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.67 -43.04 81.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -64.66 -54.13 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.445 ' CD2' HG13 ' B' ' 109' ' ' ILE . 29.2 mt -54.67 -57.65 10.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.963 0.411 . . . . 0.0 110.692 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . 0.41 ' HB3' ' CD1' ' C' ' 35' ' ' LEU . 1.9 ppt_? -54.81 -30.1 56.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.864 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . 0.4 ' N ' ' HG3' ' C' ' 20' ' ' ARG . . . -66.67 -46.89 71.92 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.72 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -59.6 -35.63 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.71 0.29 . . . . 0.0 110.465 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 20.2 mt -66.28 -47.18 74.48 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.057 0.456 . . . . 0.0 110.253 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . 0.426 ' CG ' ' ND2' ' C' ' 32' ' ' ASN . 0.0 OUTLIER -57.75 -28.44 63.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.949 178.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -82.1 -30.85 30.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.693 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.83 -33.15 24.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.318 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.39 11.89 5.92 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.804 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -104.65 81.86 1.83 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.976 0.417 . . . . 0.0 110.003 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.52 19.52 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.037 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 55.3 m -91.13 -39.75 11.97 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.669 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.481 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 1.2 mm-40 -83.26 -24.22 32.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . 0.426 ' ND2' ' CG ' ' C' ' 24' ' ' GLN . 99.4 m-20 -51.68 -39.82 58.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.369 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.12 -41.02 95.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' C' ' 31' ' ' GLN . 2.8 mptt -59.49 -54.9 41.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.084 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.448 ' N ' ' CD2' ' C' ' 35' ' ' LEU . 1.3 mt -57.85 -39.77 78.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -73.44 -29.95 62.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.127 0.489 . . . . 0.0 109.941 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.456 ' HB3' ' HB2' ' B' ' 84' ' ' LEU . . . -72.03 -46.48 56.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.666 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.43 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 9.0 t80 -71.05 -43.6 67.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.285 0.564 . . . . 0.0 110.002 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.466 ' CE1' ' HD3' ' C' ' 43' ' ' LYS . 22.4 t80 -55.4 -53.47 55.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.406 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 0.2 OUTLIER -59.33 -50.41 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.621 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' THR . . . . . 0.426 HG23 ' CE2' ' C' ' 47' ' ' PHE . 86.9 m -56.26 -40.56 74.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.43 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 3.8 mt -59.84 -35.42 74.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.146 0.498 . . . . 0.0 110.278 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.466 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 1.0 OUTLIER -70.91 -31.1 67.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.703 179.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.23 124.05 5.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.361 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.9 -50.31 7.96 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.428 2.085 . . . . 0.0 112.092 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.424 ' CD1' ' CG1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.91 -52.79 64.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.336 179.74 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.426 ' CE2' HG23 ' C' ' 41' ' ' THR . 15.4 t80 -56.18 -38.49 71.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -57.95 -41.68 83.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.25 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -36.44 83.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.995 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . 0.411 HG12 ' CD2' ' A' ' 53' ' ' LEU . 12.7 mt -58.74 -48.99 84.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.724 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -42.16 89.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.345 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 10.0 m -55.85 -41.56 74.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.187 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -49.98 74.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.071 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -34.98 74.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.352 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -61.26 -40.32 93.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.085 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 7.7 t -61.85 -45.89 91.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.86 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.4 HG12 HD13 ' A' ' 46' ' ' LEU . 5.3 mt -59.99 -36.86 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.212 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -39.95 91.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.94 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.28 -38.74 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.252 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.83 -47.59 82.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.47 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -60.07 -56.82 16.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.79 94.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -52.41 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mp -75.05 107.49 7.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.818 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.918 0.389 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 178.84 37.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.952 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.51 141.19 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -90.2 -168.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.769 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' D' ' 85' ' ' GLU . 16.2 tp -152.09 -37.86 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.3 OUTLIER 53.65 109.7 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.951 -179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 1.0 OUTLIER -49.93 -27.18 3.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.409 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.05 -43.95 93.95 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.233 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -34.55 41.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.738 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.51 ' CD2' ' HA ' ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.17 -30.07 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.254 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 26.4 t80 -72.46 -50.44 26.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.866 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 38.7 m -61.96 -29.44 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.555 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 92' ' ' SER . . . . . 0.42 ' C ' HD11 ' D' ' 96' ' ' ILE . 58.8 m -63.52 -52.86 59.39 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.456 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.7 OUTLIER -57.02 -36.78 70.85 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.519 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -59.56 -39.52 84.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.455 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.2 t60 -69.45 -52.77 23.56 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.429 ' HA ' ' HB ' ' D' ' 99' ' ' THR . 11.7 mt -51.5 -41.29 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.97 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . 0.403 ' HG3' HG21 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -61.57 -52.12 65.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.064 179.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.09 -5.19 55.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 0.0 110.312 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 99' ' ' THR . . . . . 0.433 ' N ' ' O ' ' D' ' 95' ' ' HIS . 1.9 m -94.43 -33.06 13.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.394 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.41 ' CD1' HD22 ' A' ' 19' ' ' LEU . 18.2 mt -90.61 -51.82 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.348 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.61 35.7 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.726 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.74 22.07 10.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.646 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.0 -71.65 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -59.15 -33.07 70.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.14 0.495 . . . . 0.0 110.025 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 0.5 OUTLIER -68.89 -39.8 79.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.347 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -35.67 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.145 0.498 . . . . 0.0 110.288 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -41.48 77.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.678 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . 0.402 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 42.7 m-20 -70.43 -43.0 70.82 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.426 HG13 ' CD2' ' A' ' 19' ' ' LEU . 5.2 mt -59.8 -49.2 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.623 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 110' ' ' SER . . . . . 0.408 ' HA ' ' CD1' ' D' ' 113' ' ' LEU . 8.3 t -55.83 -36.94 68.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.08 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . 0.407 ' CD2' HG21 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.86 -51.47 68.92 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.29 179.043 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . 0.407 ' CD2' HG12 ' A' ' 15' ' ' VAL . 2.8 mt -60.82 -43.18 98.55 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' D' ' 117' ' ' GLN . 4.0 mt -56.47 -48.5 76.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.58 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . 0.419 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 33.2 mt-30 -60.86 -45.97 92.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.074 0.464 . . . . 0.0 110.458 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' D' ' 121' ' ' PHE . 1.1 mp -58.59 -38.51 78.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.958 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.446 ' CG1' HG12 ' D' ' 86' ' ' ILE . 76.2 t -69.34 -53.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.744 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' D' ' 113' ' ' LEU . 0.1 OUTLIER -62.95 -17.75 62.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.917 -179.134 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -51.27 134.57 27.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.675 0.274 . . . . 0.0 110.638 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -61.51 -59.03 5.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.496 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.1 -50.02 74.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.374 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.448 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 10.3 t80 -56.71 -46.78 81.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.603 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.55 -40.77 65.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.466 ' HB3' HG12 ' B' ' 127' ' ' ILE . 6.1 m-80 -68.03 -48.23 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.859 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.16 -49.09 77.04 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.192 0.52 . . . . 0.0 110.823 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.44 ' CD1' HD12 ' D' ' 86' ' ' ILE . 14.1 t80 -59.36 -38.79 81.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.99 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -62.08 -37.92 86.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.711 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.459 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 12.2 mt -62.84 -49.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.672 ' O ' ' HB ' ' D' ' 132' ' ' THR . 7.3 t-80 -66.88 -38.19 85.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.052 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . 0.4 ' ND2' ' CE1' ' D' ' 125' ' ' PHE . 0.3 OUTLIER -64.54 -60.38 3.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.034 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.54 -52.56 62.97 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . 0.401 HG13 ' O ' ' D' ' 127' ' ' ILE . 57.4 mt -55.12 -35.91 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.75 0.31 . . . . 0.0 110.799 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.672 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.6 OUTLIER -64.71 -47.91 76.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.472 0.653 . . . . 0.0 109.404 178.437 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . . . . . . . . . 21.6 t -52.57 -51.33 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.96 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -63.71 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.277 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.1 ttm -57.33 -62.08 2.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -64.81 -34.52 78.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -63.63 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 62.35 119.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.851 179.878 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.549 0.214 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.46 -28.04 70.74 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.449 2.099 . . . . 0.0 112.233 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.52 -27.45 66.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.019 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.61 97.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.968 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -64.33 -55.03 23.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -59.5 -42.52 92.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.491 179.713 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.2 mmt -61.54 -47.5 85.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.822 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -64.83 -34.35 78.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.652 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.3 t -59.64 -55.61 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.594 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 14.0 mt -54.77 -43.27 72.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.027 0.441 . . . . 0.0 110.134 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -28.58 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.847 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.454 HG11 ' HB3' ' D' ' 108' ' ' ASP . 2.7 t -72.04 -39.03 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.841 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -64.14 -41.39 97.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.65 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -66.51 -39.68 88.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.844 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -54.23 17.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' CD2' HG13 ' D' ' 109' ' ' ILE . 59.9 mt -54.35 -55.39 28.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.894 0.378 . . . . 0.0 110.435 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -38.8 62.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.908 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.97 -41.98 98.11 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.053 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -64.43 -40.85 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 110.995 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 19.5 mt -61.65 -50.49 72.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.962 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.8 -27.88 69.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.304 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.57 -32.46 28.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.497 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.01 -34.42 29.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.273 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.24 -17.19 5.65 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.527 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.37 80.09 1.02 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.928 0.394 . . . . 0.0 110.061 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.15 22.47 3.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.736 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.7 m -102.38 -51.06 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.522 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.424 ' HG2' ' CD2' ' D' ' 95' ' ' HIS . 0.9 OUTLIER -70.52 -21.41 62.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.58 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -54.57 -42.8 71.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.756 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -32.77 66.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.175 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -72.75 -42.17 64.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.161 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.4 mt -66.05 -36.32 82.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.243 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.68 -32.18 60.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.743 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' D' ' 84' ' ' LEU . . . -70.83 -44.22 66.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.327 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.5 ' HB2' HD21 ' D' ' 84' ' ' LEU . 2.6 t80 -70.31 -47.36 61.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.401 0.62 . . . . 0.0 109.893 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CZ ' ' NZ ' ' A' ' 43' ' ' LYS . 24.0 t80 -53.72 -53.32 53.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.092 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -60.56 -52.06 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.756 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.0 m -54.54 -41.09 69.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.011 0.434 . . . . 0.0 110.427 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.402 ' HB3' ' CD2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -59.32 -37.38 77.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.188 179.442 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' NZ ' ' CZ ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -70.12 -28.82 65.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.648 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.0 t -45.65 130.32 6.57 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.289 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.83 -51.39 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.356 2.037 . . . . 0.0 112.45 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.48 ' HG ' ' N ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -58.55 -39.43 80.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.69 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.48 ' N ' ' HG ' ' A' ' 46' ' ' LEU . 12.1 t80 -62.49 -43.81 97.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.965 0.412 . . . . 0.0 109.943 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.88 -39.02 70.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.025 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -60.79 -42.86 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.038 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.416 HG12 ' CD2' ' C' ' 53' ' ' LEU . 2.7 mt -58.82 -51.56 70.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.71 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.459 ' HA ' ' HG2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -64.17 -36.31 83.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.174 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.7 m -61.63 -40.76 96.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.318 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.19 -51.79 66.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.524 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' A' ' 51' ' ' LEU . 3.9 pt20 -59.96 -32.04 70.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.055 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -61.62 -41.75 97.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.644 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.2 t -60.89 -42.54 98.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.361 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.4 ' CD1' ' CD1' ' C' ' 46' ' ' LEU . 3.7 mt -61.42 -35.12 64.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.829 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -60.69 -40.21 91.32 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.554 178.687 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -38.77 92.33 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.136 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.3 -47.78 78.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.596 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' CG ' ' HG3' ' B' ' 135' ' ' MET . 1.6 mppt? -68.74 -28.32 66.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.43 -23.48 43.44 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.994 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -90.64 -30.37 17.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.752 0.31 . . . . 0.0 111.105 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.26 79.94 8.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.807 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.781 0.324 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 m -155.48 -55.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.125 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.09 121.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.319 . . . . 0.0 110.69 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.434 ' CD1' ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -92.75 -171.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.083 0.468 . . . . 0.0 110.996 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.415 HD23 ' HB2' ' C' ' 38' ' ' PHE . 22.9 tp -134.82 -37.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.234 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.63 108.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.555 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' B' ' 90' ' ' PHE . 1.0 OUTLIER -51.29 -27.24 6.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.336 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.02 -42.83 94.04 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.101 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -34.67 39.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.759 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.51 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.16 -30.98 65.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.203 179.237 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.545 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 33.3 t80 -72.05 -49.86 33.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.739 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 31.0 t -61.73 -29.3 70.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.505 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' SER . . . . . 0.431 ' C ' HD13 ' B' ' 96' ' ' ILE . 14.0 t -63.57 -53.1 57.04 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.393 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' B' ' 96' ' ' ILE . 0.7 OUTLIER -56.89 -36.78 70.53 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.983 0.42 . . . . 0.0 109.889 179.588 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -59.76 -41.37 90.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.8 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.453 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.4 t60 -69.48 -52.71 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' B' ' 93' ' ' LEU . 10.6 mt -51.42 -40.46 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.889 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -50.36 71.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.908 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -81.94 -1.46 48.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.991 0.424 . . . . 0.0 110.583 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' THR . . . . . 0.404 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.4 m -100.3 -33.5 10.37 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.425 HD11 HD21 ' C' ' 19' ' ' LEU . 70.8 mt -90.24 -52.3 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.27 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.81 35.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.712 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.46 21.01 9.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.932 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.75 -70.79 0.1 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.711 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -32.53 72.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 0.0 109.865 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.412 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 2.9 m -70.25 -38.71 75.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.502 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.44 -34.44 78.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.116 0.484 . . . . 0.0 110.334 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.49 -39.96 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -70.4 -43.76 69.36 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.742 0.782 . . . . 0.0 108.9 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.457 HG13 ' CD2' ' C' ' 19' ' ' LEU . 5.5 mt -60.05 -49.36 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.643 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' SER . . . . . 0.408 ' HA ' ' CD1' ' B' ' 113' ' ' LEU . 1.2 m -56.37 -36.77 69.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.165 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.37 -51.42 69.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.245 179.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.24 -42.54 98.79 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' B' ' 117' ' ' GLN . 5.4 mt -56.57 -48.63 76.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.501 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -60.76 -46.39 90.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.482 ' O ' ' CG ' ' B' ' 121' ' ' PHE . 5.6 mp -57.65 -42.3 83.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.412 0.625 . . . . 0.0 109.719 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.442 ' CG1' HG22 ' B' ' 86' ' ' ILE . 63.4 t -64.76 -53.54 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.903 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' B' ' 113' ' ' LEU . 0.0 OUTLIER -63.61 -18.45 63.92 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.093 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -53.13 146.02 12.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.612 0.244 . . . . 0.0 110.742 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.22 -59.4 2.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.56 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -45.67 90.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.773 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.482 ' CG ' ' O ' ' B' ' 115' ' ' LEU . 10.0 t80 -55.87 -55.28 34.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.546 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.92 -39.34 39.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.677 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.46 -47.25 86.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.722 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.449 ' HA ' HD11 ' B' ' 127' ' ' ILE . . . -58.11 -41.26 83.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.428 ' CD1' HD11 ' B' ' 86' ' ' ILE . 3.7 t80 -68.2 -38.84 82.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.224 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -33.48 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.646 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.449 HD11 ' HA ' ' B' ' 124' ' ' ALA . 5.6 mt -71.78 -49.94 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.748 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.595 ' O ' ' HB ' ' B' ' 132' ' ' THR . 13.8 t-80 -64.27 -49.94 69.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.564 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.424 ' O ' ' CG2' ' B' ' 133' ' ' VAL . 50.2 t-20 -55.6 -59.96 4.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.945 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -52.12 67.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.648 0.261 . . . . 0.0 111.689 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.422 HG13 ' O ' ' B' ' 127' ' ' ILE . 72.4 mt -58.62 -43.1 86.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.286 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.595 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -60.77 -44.09 97.2 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.293 0.568 . . . . 0.0 109.657 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' B' ' 129' ' ' ASN . 86.1 t -52.91 -51.17 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.124 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.81 -30.65 71.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.027 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' MET . . . . . 0.409 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 31.1 ttm -54.07 -52.39 61.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -85.46 -30.16 23.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -74.98 -67.4 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 66.4 105.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.832 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 4.7 t30 . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.497 0.189 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.03 -56.68 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.442 2.095 . . . . 0.0 112.249 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.98 -30.2 23.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.376 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.67 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -68.08 -51.19 49.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.4 OUTLIER -53.99 -41.44 67.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.736 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.2 tpt -61.19 -51.32 69.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.435 ' O ' HG22 ' C' ' 15' ' ' VAL . 21.4 tp60 -59.9 -36.37 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.462 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 84.4 t -57.85 -48.97 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.908 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' C' ' 9' ' ' LYS . 16.8 mt -57.74 -48.75 78.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.029 0.442 . . . . 0.0 110.194 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.64 -28.33 69.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.641 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.435 HG22 ' O ' ' C' ' 11' ' ' GLN . 2.5 t -72.9 -37.87 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.067 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 5.8 mt -64.23 -42.85 96.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.163 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.05 -37.49 75.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.549 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -68.29 -50.01 56.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 55.7 mt -56.72 -57.76 11.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.095 0.474 . . . . 0.0 110.759 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . 0.473 ' HB3' ' CD1' ' C' ' 35' ' ' LEU . 4.0 ppt_? -54.93 -33.55 62.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.806 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' C' ' 20' ' ' ARG . . . -63.57 -45.74 93.97 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.333 -0.937 . . . . 0.0 111.796 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -61.77 -36.39 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.679 0.276 . . . . 0.0 110.726 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.549 ' HB3' ' O ' ' C' ' 28' ' ' ASP . 11.0 mt -67.28 -50.18 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 110.482 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.47 -29.11 58.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.115 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -82.1 -31.41 30.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.416 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -80.72 -33.12 35.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.46 2.65 8.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.671 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . 0.549 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 6.2 m-20 -108.26 70.83 0.77 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.941 0.401 . . . . 0.0 110.367 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -89.74 11.71 19.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.126 0.489 . . . . 0.0 110.388 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 16.5 m -73.14 -33.56 65.58 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.969 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.453 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 1.2 mm-40 -83.3 -23.24 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.462 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.07 -48.82 22.38 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.491 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.78 -32.76 65.98 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.788 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -72.82 -47.47 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.718 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' C' ' 20' ' ' ARG . 1.8 mt -60.68 -29.99 69.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.255 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -77.05 -38.54 52.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.767 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.51 83.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.925 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.446 ' CD1' HD21 ' B' ' 89' ' ' LEU . 2.4 t80 -70.85 -42.12 70.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.178 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.441 ' CE1' ' HD3' ' C' ' 43' ' ' LYS . 15.8 t80 -65.5 -51.81 57.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.292 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.77 -45.02 86.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.131 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' THR . . . . . 0.438 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 85.2 m -57.99 -47.62 82.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.759 0.314 . . . . 0.0 110.676 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.4 ' CB ' HD23 ' C' ' 13' ' ' LEU . 6.1 mt -58.33 -32.95 68.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.08 0.467 . . . . 0.0 110.485 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.441 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 12.3 mtpt -79.5 -35.6 39.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.563 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -45.67 139.52 4.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.308 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.55 -41.34 8.75 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.453 2.102 . . . . 0.0 112.087 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.4 ' CD1' ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -60.75 -55.17 36.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.102 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.438 ' CD2' ' CG2' ' C' ' 41' ' ' THR . 10.2 t80 -58.57 -42.83 88.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.19 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -55.83 -38.32 69.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.434 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.18 -41.89 99.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.123 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mt -60.22 -48.73 86.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.874 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.48 ' HA ' ' HG2' ' C' ' 54' ' ' GLN . 0.3 OUTLIER -61.27 -36.58 80.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.315 179.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 30.5 m -59.59 -42.58 92.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.428 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . 0.416 ' CD2' HG12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -60.45 -51.9 67.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.399 179.598 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' C' ' 51' ' ' LEU . 3.5 pt20 -62.13 -31.0 71.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -59.65 -40.92 89.3 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -47.56 82.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.503 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.447 ' CD1' ' CD1' ' A' ' 46' ' ' LEU . 34.5 mt -60.47 -34.89 59.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.9 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -59.84 -41.76 92.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.859 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -40.92 97.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.983 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -55.58 -45.9 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.414 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.805 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.97 -55.3 27.47 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.647 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -57.8 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.943 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mp -68.59 84.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.956 0.408 . . . . 0.0 111.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 12.7 m -137.31 -44.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.355 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 55.76 112.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.384 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.43 ' CD1' ' CG2' ' D' ' 132' ' ' THR . 0.6 OUTLIER -83.44 178.43 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.943 0.401 . . . . 0.0 110.623 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 38' ' ' PHE . 58.9 tp -117.59 -38.37 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.327 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.96 102.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.109 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.514 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 0.6 OUTLIER -49.52 -25.87 2.11 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.523 -179.155 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.05 -46.3 88.17 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.337 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.43 -34.96 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.046 0.45 . . . . 0.0 109.853 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' D' ' 93' ' ' LEU . 0.1 OUTLIER -72.12 -29.25 63.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.27 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 9.1 t80 -72.38 -50.27 27.84 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.122 0.487 . . . . 0.0 109.745 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 68.4 m -62.95 -28.06 69.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.431 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 92' ' ' SER . . . . . 0.424 ' C ' HD12 ' D' ' 96' ' ' ILE . 4.1 t -64.03 -52.97 56.95 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.386 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.8 OUTLIER -56.87 -37.62 71.59 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -59.43 -40.55 87.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.692 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . 0.424 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 1.5 t60 -69.68 -53.28 19.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' D' ' 93' ' ' LEU . 10.3 mt -51.87 -38.48 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.885 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -51.53 67.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.935 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -81.63 -2.95 52.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.446 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 99' ' ' THR . . . . . 0.412 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.9 m -99.09 -32.21 11.37 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.443 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.421 ' CD1' HD23 ' A' ' 19' ' ' LEU . 15.5 mt -89.95 -53.78 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.241 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.6 35.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.665 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' D' ' 104' ' ' GLN . 7.3 m-20 -96.99 23.51 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.722 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 31.8 t 65.97 -71.47 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.783 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' D' ' 102' ' ' ASP . 2.9 mm100 -60.63 -30.77 70.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.144 0.497 . . . . 0.0 109.91 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.429 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 0.5 OUTLIER -70.73 -39.87 73.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.554 179.529 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.82 -38.33 90.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.003 0.43 . . . . 0.0 110.519 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.69 -39.8 80.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . 0.454 ' HB3' HG11 ' A' ' 15' ' ' VAL . 28.8 m-20 -70.49 -42.95 70.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.444 HG13 ' CD2' ' A' ' 19' ' ' LEU . 4.7 mt -59.95 -49.63 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.645 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.24 -35.16 69.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.082 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -51.35 69.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.032 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . 0.438 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.3 mt -63.21 -42.67 99.32 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' D' ' 117' ' ' GLN . 6.0 mt -56.15 -42.33 76.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.621 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -62.25 -52.21 64.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.785 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.44 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 1.9 mp -58.98 -48.71 80.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.246 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.443 ' CG1' HG23 ' D' ' 86' ' ' ILE . 62.7 t -57.12 -41.42 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.531 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.452 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 55.3 mt-30 -82.93 -11.04 58.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.5 128.38 36.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.735 0.303 . . . . 0.0 110.482 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -52.31 -58.99 4.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.499 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.71 -50.32 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 111.055 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.6 t80 -55.81 -52.77 62.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -54.65 -31.25 57.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.066 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.586 ' O ' HG13 ' D' ' 127' ' ' ILE . 22.5 m120 -67.55 -52.43 38.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.19 -49.24 77.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.489 ' CZ ' HD22 ' D' ' 84' ' ' LEU . 4.6 t80 -56.18 -40.41 73.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -34.19 76.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.207 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.586 HG13 ' O ' ' D' ' 123' ' ' ASN . 5.7 mt -63.21 -49.61 82.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.438 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.791 ' O ' ' HB ' ' D' ' 132' ' ' THR . 38.1 t-80 -65.36 -41.25 94.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.015 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . 0.41 ' O ' ' CG2' ' D' ' 133' ' ' VAL . 27.2 m-20 -55.05 -60.73 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.21 -51.91 58.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.539 0.209 . . . . 0.0 111.506 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . 0.444 HD11 HG22 ' D' ' 131' ' ' ILE . 69.5 mt -56.19 -40.12 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.16 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.791 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -61.46 -43.1 99.46 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.837 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.41 ' CG2' ' O ' ' D' ' 129' ' ' ASN . 47.0 t -52.88 -47.72 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.463 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -63.1 -32.87 74.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.034 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -42.54 99.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.603 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -67.48 -38.87 85.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -59.25 3.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 63.24 129.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.262 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.645 0.259 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.71 -24.65 61.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.585 2.19 . . . . 0.0 112.344 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.98 -30.37 65.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.85 -37.62 71.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.21 -57.07 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.721 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -61.49 -42.86 99.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.544 179.675 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -41.52 97.51 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 31.0 tp60 -67.21 -35.67 80.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -60.17 -47.89 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.438 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 42' ' ' LEU . 13.5 mt -62.69 -44.63 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -63.71 -29.4 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.239 178.142 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.406 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 2.4 t -71.64 -35.81 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.293 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.445 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 27.0 mt -64.13 -40.43 96.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.056 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' OD2' ' HA ' ' A' ' 14' ' ' GLN . 5.7 p30 -76.29 -28.05 56.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.43 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -73.84 -54.66 7.49 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.987 0.422 . . . . 0.0 110.418 179.634 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 89.5 mt -56.59 -49.27 75.4 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.02 -48.33 61.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.836 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.29 -44.94 65.31 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.876 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' D' ' 100' ' ' LEU . 0.3 OUTLIER -63.38 -36.3 83.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.511 0.196 . . . . 0.0 111.173 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 31.4 mt -65.66 -50.5 64.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.014 0.435 . . . . 0.0 110.581 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -60.05 -26.88 66.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.22 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.59 -32.9 28.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.64 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -32.14 30.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.398 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.82 19.24 5.34 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 120.571 -0.824 . . . . 0.0 112.627 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -110.07 77.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.019 0.438 . . . . 0.0 109.953 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.25 9.03 30.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.307 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.3 m -82.51 -54.72 4.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.31 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.428 ' HG2' ' CD2' ' D' ' 95' ' ' HIS . 1.2 mp0 -63.81 -18.93 64.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.034 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -46.66 -46.49 19.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.73 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.55 -36.0 68.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.146 0.498 . . . . 0.0 109.721 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' H ' ' HG2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -61.25 -44.38 97.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.688 178.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 2.5 mt -70.78 -34.81 72.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.733 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -72.13 -34.96 68.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.124 0.487 . . . . 0.0 109.937 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.98 -40.76 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.219 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.436 ' HB2' HD23 ' D' ' 84' ' ' LEU . 2.4 t80 -70.54 -51.09 31.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.357 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.91 -51.1 67.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.286 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.54 -52.31 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.238 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.419 HG23 ' CD2' ' A' ' 47' ' ' PHE . 95.1 m -59.05 -48.53 81.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.52 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.66 -34.21 61.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.893 179.484 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -77.78 -34.81 52.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.611 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.07 134.46 6.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.327 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.72 -40.4 9.99 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.492 2.128 . . . . 0.0 112.203 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -55.04 39.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.352 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.445 ' CE1' ' HA ' ' D' ' 125' ' ' PHE . 12.3 t80 -58.09 -40.58 81.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.389 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -57.6 -41.16 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.495 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.19 -42.44 98.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.267 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.3 mt -56.78 -46.09 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.868 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD22 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -65.03 -36.19 83.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.235 179.679 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.8 m -53.92 -50.82 65.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.988 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -44.87 92.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.788 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -34.29 73.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.169 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -40.54 97.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.097 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 t -60.71 -45.84 92.68 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.673 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 5.7 mt -62.09 -34.78 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.887 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -42.82 84.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.78 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.58 -39.63 94.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.251 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 57' ' ' ILE . 1.5 mt -53.01 -47.26 68.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.662 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -63.06 -49.93 72.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.853 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.17 -31.46 79.08 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.592 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -80.06 -42.39 23.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.93 53.67 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.841 0.353 . . . . 0.0 111.423 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.428 ' O ' HG23 ' B' ' 81' ' ' VAL . 16.3 m 41.92 74.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.487 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.96 156.77 16.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.255 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' B' ' 84' ' ' LEU . 0.0 OUTLIER -109.17 -103.21 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 119.601 -0.238 . . . . 0.0 111.25 -179.744 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' B' ' 83' ' ' ILE . 11.0 tp 159.49 -41.84 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.46 112.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.383 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.553 HG13 HD21 ' B' ' 89' ' ' LEU . 1.1 mt -57.22 -29.53 32.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.765 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.91 -47.69 83.81 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.246 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -35.87 57.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.952 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.553 HD21 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -71.98 -28.6 63.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.563 179.564 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.42 -50.02 29.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -63.17 -28.47 70.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.517 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 57.7 m -64.36 -51.33 63.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.748 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 89' ' ' LEU . 0.7 OUTLIER -59.29 -38.35 79.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -59.78 -38.54 82.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.288 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.0 OUTLIER -72.04 -49.54 35.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.312 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.446 HD11 ' HA ' ' B' ' 93' ' ' LEU . 12.0 mt -53.64 -44.1 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.735 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.448 ' HB3' ' CG2' ' B' ' 109' ' ' ILE . 3.5 pt20 -62.2 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.746 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.409 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -85.38 -0.8 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.554 179.129 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.3 m -102.2 -34.2 9.35 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 76.8 mt -82.8 -50.18 8.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.457 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 45.06 52.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.232 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.5 OUTLIER -120.47 20.87 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.119 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 73.4 m 63.17 -75.7 0.03 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.821 0.343 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -54.86 -29.25 54.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.176 0.512 . . . . 0.0 109.958 179.198 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.427 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 2.4 m -67.7 -43.27 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.212 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.17 -35.7 75.92 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.119 0.485 . . . . 0.0 110.487 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.66 -42.55 77.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.242 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.414 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 18.8 m-20 -70.44 -44.89 66.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.732 0.777 . . . . 0.0 108.97 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' B' ' 97' ' ' GLN . 3.9 mt -58.44 -48.86 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.393 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 66.6 m -57.14 -34.84 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.149 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.88 -51.39 69.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.847 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.08 -42.27 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.362 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 6.2 mt -56.82 -40.53 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.7 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -61.68 -52.34 64.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.558 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 0.9 OUTLIER -60.11 -49.56 77.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.19 179.4 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.427 ' CG1' HG23 ' B' ' 86' ' ' ILE . 48.8 t -58.4 -37.28 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.547 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.421 ' NE2' ' CE1' ' B' ' 90' ' ' PHE . 74.4 mt-30 -87.75 -8.57 55.85 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -61.21 150.67 33.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.717 0.294 . . . . 0.0 110.374 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -72.08 -58.94 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.513 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.78 -46.31 90.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.0 t80 -55.94 -49.92 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.589 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 8.1 mt-30 -54.28 -44.29 71.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -59.51 -47.36 85.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 110.98 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.431 ' HA ' ' CD1' ' B' ' 127' ' ' ILE . . . -58.17 -40.27 81.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.741 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.492 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 4.6 t80 -66.07 -38.49 88.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.828 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 18.0 mmtt -61.77 -37.09 83.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.317 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.491 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 10.4 mt -64.68 -49.87 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.272 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.721 ' O ' ' HB ' ' B' ' 132' ' ' THR . 20.6 t-80 -67.11 -27.76 67.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.717 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.432 ' HA ' ' CG2' ' B' ' 83' ' ' ILE . 3.8 t30 -66.23 -60.62 2.61 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.53 -49.93 61.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.407 ' CG2' ' CG2' ' A' ' 57' ' ' ILE . 51.3 mt -53.94 -48.35 63.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 121.199 -0.2 . . . . 0.0 111.156 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.721 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.8 OUTLIER -56.87 -53.94 52.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.385 0.612 . . . . 0.0 109.768 179.072 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' B' ' 129' ' ' ASN . 59.0 t -53.26 -45.18 55.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.617 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -33.76 76.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.969 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.9 ttm -66.22 -38.25 87.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.515 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -78.54 -35.67 45.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -67.47 0.45 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -86.67 154.3 21.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.865 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.657 0.265 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.01 -27.76 57.84 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.529 2.152 . . . . 0.0 112.354 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.76 -31.94 71.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.67 71.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.05 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.09 -57.7 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.424 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -51.95 -41.67 62.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.939 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -51.7 67.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.412 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 25.7 tp60 -59.53 -36.01 75.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.484 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 70.2 t -58.38 -45.24 89.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.554 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.458 ' HB3' ' CZ ' ' C' ' 39' ' ' TYR . 12.8 mt -59.46 -49.66 76.95 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.894 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -63.32 -28.46 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.54 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.414 ' CG1' ' HB3' ' B' ' 108' ' ' ASP . 2.9 t -73.01 -38.25 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.926 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.425 ' HB2' ' CD2' ' C' ' 39' ' ' TYR . 9.8 mt -64.12 -39.12 93.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.899 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -71.42 -39.36 71.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.708 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -67.25 -54.24 22.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.818 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 73.3 mt -53.29 -57.45 10.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -37.26 53.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.848 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.73 -46.67 93.09 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.276 -0.964 . . . . 0.0 111.878 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -65.45 -32.57 74.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.81 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 47.7 mt -66.96 -50.18 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.367 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -26.73 68.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.03 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.6 -33.1 28.09 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.63 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 -31.28 41.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.406 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.82 23.94 4.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.436 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -119.16 82.95 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.94 0.4 . . . . 0.0 110.167 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.57 18.45 11.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.127 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 15.5 m -84.6 -38.68 19.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.445 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 0.7 OUTLIER -87.51 -16.66 34.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.622 179.523 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -47.87 -53.24 16.31 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -32.91 65.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.442 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -66.08 -40.03 90.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.982 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' C' ' 39' ' ' TYR . 2.3 mt -70.26 -38.47 75.13 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.432 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -70.47 -33.53 71.37 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.37 -45.83 58.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.162 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.461 ' CA ' HD21 ' B' ' 84' ' ' LEU . 4.6 t80 -68.14 -42.89 79.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.273 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' C' ' 35' ' ' LEU . 0.7 OUTLIER -56.82 -53.48 57.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.993 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.32 -46.46 86.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.282 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' THR . . . . . 0.451 ' CG2' ' CD1' ' C' ' 47' ' ' PHE . 93.3 m -56.59 -37.83 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.052 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mt -74.31 -27.49 60.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.717 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -81.57 -36.94 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.63 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -47.64 135.5 10.33 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.325 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.27 -37.15 25.33 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.402 2.068 . . . . 0.0 111.944 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.402 ' CD1' ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -61.98 -50.27 72.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.077 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.451 ' CD1' ' CG2' ' C' ' 41' ' ' THR . 25.5 t80 -57.5 -45.92 84.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.616 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -55.6 -38.28 69.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.03 -42.27 99.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.296 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 28.9 mt -59.97 -47.33 92.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.951 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.428 HD22 ' CE2' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.72 -35.79 80.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.401 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 94.5 m -54.03 -50.83 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.125 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.81 -45.68 93.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.832 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -34.63 73.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.189 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.23 -39.4 93.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.08 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 7.8 t -60.92 -45.25 95.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.826 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 6.0 mt -60.32 -34.95 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.103 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -41.85 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.816 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.64 -39.72 92.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.083 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -53.14 60.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.661 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -59.45 -34.14 72.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.98 4.68 63.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.132 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -134.75 9.62 3.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.956 0.378 . . . . 0.0 111.628 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.58 151.19 47.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.855 0.36 . . . . 0.0 110.755 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 25.5 p . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.023 -179.863 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.89 0.376 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 m 42.34 68.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.924 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.3 154.39 19.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.604 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' D' ' 132' ' ' THR . 0.4 OUTLIER -90.72 -168.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.939 0.399 . . . . 0.0 110.973 -179.754 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.448 HD21 HD23 ' D' ' 89' ' ' LEU . 25.0 tp -154.77 -36.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.47 105.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.628 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' D' ' 90' ' ' PHE . 0.6 OUTLIER -49.66 -25.59 2.13 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.528 -179.532 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.17 -47.0 84.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.424 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.87 -34.96 57.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.974 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.475 HD21 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.56 -30.57 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.543 179.383 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' D' ' 86' ' ' ILE . 12.6 t80 -71.97 -47.07 54.85 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.669 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -32.04 73.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.346 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 92' ' ' SER . . . . . 0.461 ' OG ' HD13 ' D' ' 96' ' ' ILE . 2.3 t -61.72 -52.2 65.24 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.847 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.5 OUTLIER -59.5 -35.3 73.87 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.972 0.415 . . . . 0.0 109.969 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -59.38 -43.16 92.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.656 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . 0.428 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 1.4 t60 -67.39 -53.13 31.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.461 HD13 ' OG ' ' D' ' 92' ' ' SER . 11.5 mt -50.88 -41.53 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.043 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.65 -51.26 70.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.052 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -0.75 45.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.535 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 99' ' ' THR . . . . . 0.407 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.4 m -101.13 -32.8 10.39 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.709 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.405 ' CD2' ' HB3' ' A' ' 22' ' ' LYS . 45.1 mt -88.27 -54.77 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.04 39.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.694 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.3 OUTLIER -101.31 22.3 12.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.783 179.604 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 47.7 m 65.28 -72.36 0.07 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.703 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -60.27 -31.13 69.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.151 0.5 . . . . 0.0 109.802 179.217 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 0.8 OUTLIER -70.08 -39.76 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.583 179.468 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.19 -37.09 85.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.062 0.458 . . . . 0.0 110.337 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.54 -41.33 79.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.737 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -70.56 -43.14 70.11 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.453 HG13 ' CD2' ' A' ' 19' ' ' LEU . 4.6 mt -59.09 -49.58 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.446 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 45.1 t -57.7 -33.61 68.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.853 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.93 -51.09 70.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.824 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.54 -43.04 98.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.378 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.99 -41.13 77.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.754 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.81 -51.22 69.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.986 0.422 . . . . 0.0 110.52 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.453 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 1.4 mp -59.92 -50.05 75.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.936 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.428 ' CG1' HG22 ' D' ' 86' ' ' ILE . 47.8 t -58.3 -41.33 80.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.363 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -83.75 -6.95 59.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.857 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -65.24 136.52 56.72 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.872 0.368 . . . . 0.0 110.449 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -58.34 8.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.433 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' D' ' 120' ' ' ASP . 1.1 m-20 -60.72 -50.3 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.113 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.453 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 7.7 t80 -55.72 -43.31 76.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.65 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -57.72 -46.63 84.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.033 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -59.87 -46.07 90.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . 0.419 ' HA ' ' CD1' ' D' ' 127' ' ' ILE . . . -56.8 -48.37 78.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.464 ' HB3' ' CD1' ' D' ' 86' ' ' ILE . 2.7 t80 -60.09 -36.7 77.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -64.17 -36.35 83.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.651 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.491 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 10.0 mt -65.44 -49.75 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.119 0.485 . . . . 0.0 110.647 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.689 ' O ' ' HB ' ' D' ' 132' ' ' THR . 8.8 t-80 -67.3 -32.51 73.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.965 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' D' ' 125' ' ' PHE . 17.0 m-20 -63.89 -60.8 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.9 -52.1 47.29 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . 0.423 HD11 HG21 ' D' ' 131' ' ' ILE . 53.5 mt -53.54 -36.51 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.691 0.281 . . . . 0.0 110.548 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.689 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -63.18 -50.11 71.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.532 0.682 . . . . 0.0 109.167 178.287 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.421 ' N ' HG23 ' D' ' 132' ' ' THR . 16.7 t -52.82 -51.2 38.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.801 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -30.89 71.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.243 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 28.4 ttm -57.5 -61.98 2.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.929 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -66.58 -28.64 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -59.08 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 58.94 101.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.201 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.726 0.298 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.76 -47.98 4.57 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.689 2.259 . . . . 0.0 112.134 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.89 -30.46 46.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.273 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.33 -33.83 71.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.052 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.82 -57.57 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -57.26 -43.38 83.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.74 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.42 -47.05 87.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.007 0.432 . . . . 0.0 110.004 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 28.1 tp60 -64.41 -34.71 78.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.507 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -59.68 -49.02 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.56 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 13.1 mt -59.43 -42.85 92.83 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -28.49 68.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.397 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.405 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 3.5 t -74.12 -38.05 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.7 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.6 mt -64.17 -37.99 89.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.88 -45.58 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -61.2 -54.24 46.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.05 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 85.4 mt -53.39 -57.28 11.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.932 0.396 . . . . 0.0 110.47 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.9 -34.97 21.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.203 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.1 -48.28 76.87 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.13 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HB3' ' CD2' ' D' ' 100' ' ' LEU . 1.9 mttp -60.15 -36.05 76.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.583 0.23 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 20.0 mt -64.59 -50.11 68.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.966 0.412 . . . . 0.0 110.498 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.5 -28.31 65.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.201 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.43 -32.49 28.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -83.15 -30.6 27.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.333 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.8 22.67 5.28 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.525 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 20.2 m-20 -113.11 78.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.987 0.422 . . . . 0.0 110.045 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.92 15.98 13.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.3 m -85.24 -40.51 16.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.426 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.497 ' HG3' ' CD2' ' D' ' 95' ' ' HIS . 0.7 OUTLIER -81.64 -24.52 36.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.424 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -48.36 -43.54 33.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.759 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.69 -32.97 69.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.084 0.468 . . . . 0.0 109.919 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HA ' ' CD1' ' D' ' 84' ' ' LEU . 25.5 mmmt -72.05 -39.48 69.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.256 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 2.0 mt -68.37 -31.26 70.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.508 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.32 -34.57 63.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.139 0.495 . . . . 0.0 109.845 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' D' ' 84' ' ' LEU . . . -75.19 -49.05 20.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.52 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -61.11 -46.5 90.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.135 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.486 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 1.3 t80 -57.39 -53.45 57.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.932 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.82 -52.3 64.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.172 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.8 m -55.89 -32.77 64.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.922 0.392 . . . . 0.0 110.601 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.413 ' HB3' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -68.21 -37.22 80.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.115 179.237 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -77.58 -30.72 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.529 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.8 m -39.53 127.47 1.43 Allowed Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.633 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.26 -55.71 2.04 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.547 2.165 . . . . 0.0 112.358 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.415 ' CD1' ' CG1' ' C' ' 57' ' ' ILE . 1.3 tp -58.05 -46.15 85.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CE2' HD22 ' A' ' 51' ' ' LEU . 46.1 t80 -58.99 -47.63 84.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.388 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -55.92 -33.2 64.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -65.94 -41.92 90.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.236 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.4 mt -59.58 -47.86 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.395 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD22 ' CE2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -65.2 -37.68 88.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.119 179.381 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -53.65 -48.29 69.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.91 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -45.0 90.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.423 178.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.402 ' NE2' ' N ' ' D' ' 124' ' ' ALA . 4.1 mm-40 -60.53 -35.62 76.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.123 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -59.75 -42.34 93.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.076 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -46.34 90.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.806 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.46 HG12 ' CD1' ' C' ' 46' ' ' LEU . 14.0 mt -61.84 -34.77 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.04 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -39.72 86.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.775 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -40.58 95.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.106 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.84 -54.53 33.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.589 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.59 -38.89 82.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.04 -27.01 67.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.592 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -71.37 -38.63 71.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.733 0.302 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mt -74.16 94.87 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.764 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.697 0.284 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 15.1 m 41.94 64.52 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.783 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.03 133.63 39.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.512 ' CD1' ' CG2' ' B' ' 133' ' ' VAL . 0.2 OUTLIER -93.67 -172.77 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.031 0.443 . . . . 0.0 111.304 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 0.7 OUTLIER -177.55 62.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.298 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -37.72 122.72 0.98 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.737 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.478 HG13 HD22 ' B' ' 89' ' ' LEU . 0.8 OUTLIER -49.65 -24.84 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.88 -179.056 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.08 -48.26 81.0 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.656 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.5 -33.98 54.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.078 0.466 . . . . 0.0 109.995 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.478 HD22 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.15 -29.92 64.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.375 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' B' ' 86' ' ' ILE . 14.5 t80 -72.55 -50.3 26.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.044 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 2.1 m -61.78 -29.52 70.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.555 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 55.7 m -63.07 -53.2 57.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.447 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.481 ' N ' HD23 ' B' ' 93' ' ' LEU . 0.7 OUTLIER -57.18 -36.57 70.98 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -59.6 -40.98 89.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.843 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.42 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 0.6 OUTLIER -69.33 -49.57 54.54 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.338 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.406 ' HA ' ' HB ' ' B' ' 99' ' ' THR . 13.3 mt -52.39 -45.19 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.101 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.442 ' HG3' HG22 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -58.97 -49.67 76.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.508 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.2 m170 -80.59 -3.75 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.493 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' THR . . . . . 0.406 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.4 m -97.08 -33.3 11.57 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.454 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 35.1 mt -87.21 -48.54 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.122 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.15 41.13 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.608 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.4 OUTLIER -105.71 19.92 19.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.848 179.6 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.3 -72.86 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.726 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' B' ' 105' ' ' SER . 0.0 OUTLIER -58.53 -27.44 64.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.094 0.473 . . . . 0.0 109.907 179.288 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.427 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 0.5 OUTLIER -69.57 -44.35 71.02 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.078 179.259 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -32.88 72.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.048 0.451 . . . . 0.0 110.107 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.71 -42.47 73.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.798 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.439 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 1.7 m-20 -70.51 -43.46 69.59 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.442 HG22 ' HG3' ' B' ' 97' ' ' GLN . 4.0 mt -59.58 -48.65 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.315 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -56.11 -35.21 66.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.82 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.71 -51.29 69.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.674 178.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.06 -41.96 99.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.354 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 5.0 mt -57.96 -40.02 79.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.573 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.28 -52.04 66.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 0.9 OUTLIER -61.17 -48.08 83.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.414 0.626 . . . . 0.0 110.071 179.135 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.442 ' CG1' HG12 ' B' ' 86' ' ' ILE . 93.7 t -60.24 -36.41 68.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.539 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 42.2 mt-30 -88.06 -9.2 54.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.14 150.7 20.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.687 0.279 . . . . 0.0 110.6 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -59.13 2.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.245 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -61.02 -46.54 90.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.3 t80 -55.94 -52.46 64.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.558 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -53.35 -38.76 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.798 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.53 ' O ' HG13 ' B' ' 127' ' ' ILE . 11.5 m120 -62.19 -51.93 65.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.93 -49.04 76.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.374 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.46 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 15.0 t80 -56.27 -42.0 76.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.463 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' B' ' 126' ' ' LYS . 0.5 OUTLIER -63.23 -37.71 88.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.651 -179.759 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 123' ' ' ASN . 45.0 mt -59.23 -50.01 81.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.431 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.754 ' O ' ' HB ' ' B' ' 132' ' ' THR . 25.0 t-80 -62.8 -34.76 77.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.325 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.23 -60.76 2.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.612 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.33 -48.54 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.695 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.403 HD12 HG23 ' B' ' 131' ' ' ILE . 43.9 mt -55.87 -42.05 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.106 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.754 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.6 OUTLIER -61.68 -50.12 73.74 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.512 ' CG2' ' CD1' ' B' ' 83' ' ' ILE . 49.7 t -55.61 -42.62 69.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.645 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.19 -31.06 72.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.176 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.6 ttm -66.68 -48.36 69.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.718 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -61.74 -37.58 84.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -77.26 -72.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 59.0 77.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.882 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 31.3 t30 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.56 0.219 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.14 -28.59 56.44 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.469 2.113 . . . . 0.0 112.305 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.37 71.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.4 -41.33 76.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.0 -56.93 14.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.761 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -57.95 -41.32 82.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.625 179.71 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -53.09 60.76 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.409 ' O ' ' CG2' ' C' ' 15' ' ' VAL . 23.0 tp60 -57.61 -38.8 75.56 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 37.8 t -54.91 -54.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.883 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' C' ' 42' ' ' LEU . 13.3 mt -55.07 -41.53 71.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.09 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -28.33 66.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.552 178.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.439 ' CG1' ' HB3' ' B' ' 108' ' ' ASP . 79.1 t -72.65 -38.07 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.861 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.33 -43.36 94.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.622 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -68.71 -44.47 73.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.98 -54.65 44.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.96 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.499 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 92.0 mt -52.98 -56.93 12.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.31 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -48.57 -38.39 20.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.034 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.69 -50.43 67.82 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.237 -0.982 . . . . 0.0 111.825 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -59.76 -34.56 73.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.721 0.296 . . . . 0.0 111.05 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 18.8 mt -68.15 -49.99 57.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 110.626 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -28.07 63.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.334 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -82.74 -37.44 24.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.18 0.514 . . . . 0.0 110.221 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -74.45 -30.29 61.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.274 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.13 23.16 5.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.367 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -116.25 79.45 1.31 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.994 0.426 . . . . 0.0 110.178 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.39 8.37 33.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.27 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 95.8 m -74.47 -42.18 59.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.47 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.42 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 1.9 mm-40 -78.02 -24.92 47.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -44.4 -51.38 8.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.92 -32.64 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.395 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.421 ' HA ' ' CD1' ' B' ' 84' ' ' LEU . 2.0 mmmm -72.92 -39.73 66.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.0 -30.69 68.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.786 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -31.35 55.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.969 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.44 -47.83 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.493 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.426 ' CD1' HD21 ' B' ' 89' ' ' LEU . 3.3 t80 -65.44 -36.63 84.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.338 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.446 ' CE1' ' HD3' ' C' ' 43' ' ' LYS . 61.0 t80 -67.3 -52.99 33.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.324 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -52.34 66.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.336 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' THR . . . . . 0.441 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 97.1 m -56.81 -39.36 74.01 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.846 0.355 . . . . 0.0 110.582 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.451 ' HB3' HD21 ' C' ' 13' ' ' LEU . 0.3 OUTLIER -60.76 -36.41 78.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.24 179.212 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.446 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 18.6 mtpt -79.1 -32.72 44.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.602 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.8 134.29 4.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.319 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.45 -42.89 8.91 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.385 2.057 . . . . 0.0 112.12 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -59.98 -55.17 37.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.182 179.562 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.461 ' CE1' ' CD2' ' C' ' 51' ' ' LEU . 26.1 t80 -58.77 -45.21 90.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.453 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -56.49 -35.2 67.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.573 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -65.71 -41.96 91.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.279 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 8.4 mt -59.16 -45.5 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.873 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.461 ' CD2' ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -68.4 -35.75 78.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.461 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -53.92 -47.32 71.31 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -47.67 84.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.623 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -31.95 69.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.733 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -65.05 -38.3 90.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.916 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -60.65 -50.09 74.89 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.892 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.415 ' CG1' ' CD1' ' A' ' 46' ' ' LEU . 63.5 mt -59.96 -36.65 68.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.857 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -59.91 -36.71 77.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.96 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -66.39 -40.61 89.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.951 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.47 -50.41 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.516 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -37.49 87.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.889 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.23 -58.47 14.38 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.668 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.75 -57.78 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 0.0 110.961 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 5.7 mp -51.68 -24.51 5.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.553 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.933 179.624 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.991 0.424 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.23 30.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.156 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 141.93 30.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.634 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.419 ' CD1' HG22 ' D' ' 132' ' ' THR . 1.5 mm -81.85 160.1 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.038 0.447 . . . . 0.0 111.152 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.6 tp -146.78 53.41 1.1 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.5 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.87 126.48 2.49 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.445 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' D' ' 90' ' ' PHE . 0.7 OUTLIER -49.3 -25.01 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.823 -178.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -42.73 97.62 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.372 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.94 -39.13 35.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.24 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.38 -28.83 63.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.545 179.61 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.53 ' CB ' ' O ' ' D' ' 86' ' ' ILE . 1.5 t80 -72.48 -47.14 51.07 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -64.11 -28.45 69.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.664 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 92' ' ' SER . . . . . 0.419 ' HA ' ' OE1' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -65.84 -49.21 68.99 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.621 179.613 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.7 OUTLIER -60.18 -39.18 85.57 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 120.975 0.417 . . . . 0.0 110.111 179.768 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -40.58 89.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.116 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . 0.497 ' CD2' ' HG3' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -69.51 -48.98 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.293 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.46 HD11 ' HA ' ' D' ' 93' ' ' LEU . 20.6 mt -51.87 -47.88 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.06 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . 0.441 ' HG3' ' CG2' ' D' ' 109' ' ' ILE . 0.9 OUTLIER -57.48 -49.55 75.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.222 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -81.39 -1.09 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.025 0.441 . . . . 0.0 110.646 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 99' ' ' THR . . . . . 0.426 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.4 m -99.82 -32.79 10.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.489 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.415 HD12 HD21 ' A' ' 19' ' ' LEU . 57.1 mt -89.31 -47.57 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.364 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.89 41.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.59 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' D' ' 104' ' ' GLN . 1.1 m-20 -104.43 18.03 22.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.988 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.6 -72.1 0.08 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.767 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -57.25 -33.06 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.178 0.513 . . . . 0.0 110.014 179.461 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.426 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 85.0 p -68.01 -42.14 81.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.533 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . 0.405 ' HA ' HD11 ' D' ' 109' ' ' ILE . 0.2 OUTLIER -60.12 -35.84 76.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.033 0.444 . . . . 0.0 110.457 179.591 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.08 -41.57 77.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.724 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -70.54 -42.33 71.32 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.446 HD13 HG23 ' D' ' 96' ' ' ILE . 4.1 mt -59.74 -49.07 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.332 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 8.4 t -56.41 -34.85 67.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.823 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -51.32 69.39 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.781 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.63 -41.82 98.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.352 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . . . . . . . . . 4.2 mt -57.5 -40.65 79.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.673 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.91 -52.18 65.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.461 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.441 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 1.3 mp -59.95 -51.07 71.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.124 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.427 ' CG1' HG12 ' D' ' 86' ' ' ILE . 61.0 t -57.08 -33.66 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.376 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -94.47 -4.21 48.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.777 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.64 128.61 36.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.699 0.285 . . . . 0.0 110.428 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -50.12 -58.74 4.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.599 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.09 -49.14 78.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 10.3 t80 -55.78 -49.59 72.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.79 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . 0.415 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 1.9 mt-30 -55.64 -37.81 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.489 ' HB3' HG12 ' B' ' 127' ' ' ILE . 6.4 m-20 -60.56 -51.06 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.709 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . 0.441 ' HA ' ' CD1' ' D' ' 127' ' ' ILE . . . -57.2 -42.84 82.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.096 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.45 ' CG ' ' CD1' ' D' ' 86' ' ' ILE . 4.3 t80 -65.11 -38.88 92.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.44 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 17.4 mmtt -62.86 -35.53 80.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.472 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 7.9 mt -66.37 -49.89 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.654 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.2 t-80 -67.62 -38.81 84.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.788 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . 0.4 ' O ' ' CG2' ' D' ' 133' ' ' VAL . 1.3 t30 -56.02 -60.8 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.969 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.13 41.06 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . 0.429 HD11 HG21 ' D' ' 131' ' ' ILE . 65.8 mt -53.69 -35.74 27.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.349 . . . . 0.0 110.516 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.654 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.9 OUTLIER -63.81 -53.18 54.8 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.163 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.404 ' N ' HG22 ' D' ' 132' ' ' THR . 21.8 t -52.97 -47.07 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.348 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -58.22 9.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -59.91 -39.02 84.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -68.45 -68.2 0.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.733 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -100.05 125.73 46.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.814 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.625 0.25 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.06 -30.46 89.51 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.462 2.108 . . . . 0.0 112.49 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.32 -38.67 50.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.164 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.75 -30.36 71.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.23 -47.96 72.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.726 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.95 -44.75 96.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.515 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -48.59 79.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.072 0.463 . . . . 0.0 109.775 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -63.09 -33.79 76.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.859 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 t -58.89 -56.69 15.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.564 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' CD1' ' HE2' ' A' ' 43' ' ' LYS . 19.1 mt -54.63 -42.09 70.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.438 . . . . 0.0 110.341 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -28.24 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.877 178.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' D' ' 108' ' ' ASP . 25.5 t -75.19 -37.84 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.096 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -64.59 -40.91 96.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.819 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -41.15 71.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.723 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -54.31 28.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 58.0 mt -54.37 -57.48 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.6 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -53.17 -33.78 54.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.718 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.97 -49.25 80.7 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.796 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -35.91 79.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 110.653 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 39.1 mt -63.09 -50.44 70.52 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.723 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -32.13 64.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.73 -26.24 32.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.237 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' CE ' ' HA ' ' D' ' 100' ' ' LEU . 11.6 mttm -79.28 -38.13 36.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.64 -7.67 11.13 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.567 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -94.35 86.66 4.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 110.254 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.55 15.15 13.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.849 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.6 m -78.2 -56.26 4.61 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.623 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.401 ' NE2' ' CD2' ' D' ' 95' ' ' HIS . 2.8 mp0 -72.78 -20.75 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -50.79 -47.61 59.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -32.12 65.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.187 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -67.26 -45.96 75.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.252 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.428 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.4 mt -59.67 -32.0 70.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 t -76.48 -32.74 58.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.785 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.405 ' HB3' ' CD1' ' D' ' 84' ' ' LEU . . . -70.95 -46.37 62.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.495 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.445 ' HB2' ' CD2' ' D' ' 84' ' ' LEU . 3.1 t80 -68.79 -49.2 60.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.218 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.529 ' CZ ' ' HE3' ' A' ' 43' ' ' LYS . 44.4 t80 -54.66 -54.51 40.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.339 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.02 -52.23 65.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.7 m -54.86 -31.6 59.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.534 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.408 ' HB3' HD23 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -68.52 -34.98 76.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.4 179.472 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.529 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -70.73 -32.2 69.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.71 126.0 6.51 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.304 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.35 -32.39 72.31 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.469 2.113 . . . . 0.0 112.143 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -55.06 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.449 ' CE1' ' HA ' ' D' ' 125' ' ' PHE . 9.8 t80 -58.22 -43.4 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -57.73 -36.93 72.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.458 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -40.89 96.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.243 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.4 ' N ' HD13 ' C' ' 53' ' ' LEU . 13.4 mt -59.21 -46.66 92.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.841 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.86 -37.57 88.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.321 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 m -53.42 -51.41 62.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.038 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.55 -42.53 88.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.603 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' NE2' ' N ' ' D' ' 124' ' ' ALA . 4.0 mm-40 -60.74 -37.58 82.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.194 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -59.77 -40.99 90.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.038 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 m -60.69 -45.99 92.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.767 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.401 HG12 ' CD1' ' C' ' 46' ' ' LEU . 12.0 mt -60.85 -34.67 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.149 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -59.95 -42.87 95.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.742 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -39.17 91.13 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.989 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.78 -44.22 81.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.456 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -56.74 18.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.75 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.95 -37.73 94.29 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.662 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -63.48 -41.71 98.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.889 0.376 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.4 mt -82.82 109.99 17.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.775 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.835 0.35 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 m 41.06 84.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.921 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -70.43 131.47 44.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.701 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.48 ' CD1' HG22 ' B' ' 133' ' ' VAL . 0.1 OUTLIER -94.53 -166.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.087 -179.741 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.425 ' CD2' HD23 ' B' ' 89' ' ' LEU . 7.2 tp -144.29 -39.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.242 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.31 114.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.538 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.502 ' CD1' ' CG ' ' B' ' 125' ' ' PHE . 1.1 mt -57.41 -25.03 23.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.574 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -64.16 -47.22 80.71 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.191 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -34.35 49.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.752 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.495 HD21 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.02 -30.44 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.409 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 14.9 t80 -72.42 -50.21 28.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.91 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -28.13 69.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.598 178.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 46.6 m -65.07 -51.48 61.22 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.784 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 89' ' ' LEU . 0.8 OUTLIER -57.71 -38.7 75.7 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.024 0.44 . . . . 0.0 109.976 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -41.66 90.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.772 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -67.36 -51.26 54.33 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.434 HG22 HD11 ' B' ' 109' ' ' ILE . 13.9 mt -51.23 -46.92 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.19 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.43 ' HG3' ' CG2' ' B' ' 109' ' ' ILE . 0.2 OUTLIER -57.82 -49.8 75.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.223 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.72 -3.12 49.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.038 0.446 . . . . 0.0 110.552 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.3 m -97.8 -33.15 11.37 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.451 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.402 HD11 HD13 ' B' ' 109' ' ' ILE . 44.9 mt -88.78 -48.29 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.396 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.94 41.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.404 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.47 16.48 26.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.997 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.52 -71.29 0.09 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.716 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -33.96 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 109.953 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.421 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 6.8 p -67.78 -39.87 84.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.35 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -60.28 -38.49 83.73 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.137 0.494 . . . . 0.0 110.023 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.7 -41.49 87.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.007 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.423 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 20.1 m-20 -70.26 -43.28 70.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.625 0.726 . . . . 0.0 109.046 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.434 HD11 HG22 ' B' ' 96' ' ' ILE . 4.0 mt -58.88 -48.94 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.268 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 54.8 m -56.85 -34.52 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.896 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -51.42 68.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.68 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 mt -63.67 -41.71 98.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.374 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 4.9 mt -58.14 -39.48 78.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.675 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -61.57 -52.01 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.289 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.459 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.0 OUTLIER -60.89 -49.15 78.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.345 0.593 . . . . 0.0 109.909 179.067 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.435 ' CG1' HG23 ' B' ' 86' ' ' ILE . 98.8 t -56.61 -33.48 39.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.383 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 47.5 mt-30 -93.65 -8.16 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.42 137.94 58.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.659 0.266 . . . . 0.0 110.429 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -59.18 -59.38 5.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.386 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -46.05 91.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.829 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.0 t80 -57.83 -50.97 71.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.689 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.03 -36.78 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.234 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.569 ' O ' HG13 ' B' ' 127' ' ' ILE . 19.5 m120 -63.58 -51.67 64.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.005 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.73 -49.52 74.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.0 0.429 . . . . 0.0 111.337 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.502 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 9.8 t80 -55.54 -38.55 69.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.813 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -31.58 71.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.706 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.569 HG13 ' O ' ' B' ' 123' ' ' ASN . 5.5 mt -63.41 -49.72 81.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.041 0.448 . . . . 0.0 110.39 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.73 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.7 t-80 -66.69 -38.79 87.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.951 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.3 -60.49 3.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.45 -49.3 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 0.0 111.744 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 62.8 mt -57.65 -42.24 81.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.262 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.73 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -60.4 -45.44 93.59 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.251 0.548 . . . . 0.0 109.558 179.043 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' B' ' 83' ' ' ILE . 60.3 t -56.93 -51.2 71.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.482 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.54 -30.79 71.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.245 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 14.8 ttm -56.05 -59.7 4.54 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.966 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -71.0 -35.15 71.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.66 -66.7 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 60.75 69.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.926 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.524 0.202 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.68 -54.83 2.49 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.413 2.075 . . . . 0.0 112.101 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.45 -34.1 56.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.262 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.77 92.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.12 -48.4 78.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.798 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -51.64 -42.5 62.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.1 tpt -61.7 -52.41 64.42 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -59.74 -31.43 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.649 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' C' ' 9' ' ' LYS . 70.6 t -63.01 -46.64 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.474 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' C' ' 9' ' ' LYS . 14.6 mt -58.31 -46.82 85.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.058 0.456 . . . . 0.0 109.904 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -65.1 -28.5 69.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.483 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.423 ' CG1' ' HB3' ' B' ' 108' ' ' ASP . 21.3 t -74.21 -37.18 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.053 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.53 -39.69 94.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.782 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.35 -45.02 66.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.03 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -61.14 -54.54 43.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.09 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 81.6 mt -53.63 -56.56 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.966 0.412 . . . . 0.0 110.15 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . 0.412 ' HG2' ' ND2' ' C' ' 32' ' ' ASN . 5.6 tmm_? -48.77 -38.94 23.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.238 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.22 -47.03 93.19 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.117 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -36.9 84.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.494 0.188 . . . . 0.0 111.376 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 15.9 mt -64.86 -50.32 67.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 110.502 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -27.66 66.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.279 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -82.5 -32.61 28.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.678 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -83.64 -28.98 28.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.277 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.35 19.93 5.67 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.365 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 21.3 m-20 -109.15 76.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 0.0 110.167 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.95 10.17 24.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.32 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 89.5 m -78.51 -56.1 4.7 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.362 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -70.14 -20.86 63.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.585 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . 0.412 ' ND2' ' HG2' ' C' ' 20' ' ' ARG . 0.5 OUTLIER -44.07 -52.69 6.98 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.12 179.753 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -56.83 -32.79 66.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.517 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -66.35 -40.55 89.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.396 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 mt -68.56 -33.33 73.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.412 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -31.51 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.876 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.0 -44.61 47.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.553 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.435 ' CE1' ' CD1' ' C' ' 42' ' ' LEU . 3.7 t80 -69.75 -44.59 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.459 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.427 ' CE1' ' HD3' ' C' ' 43' ' ' LYS . 2.0 t80 -59.8 -53.18 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.053 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.76 -52.08 66.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.001 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' THR . . . . . 0.455 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 92.7 m -57.45 -36.14 71.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.849 0.357 . . . . 0.0 110.532 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.435 ' CD1' ' CE1' ' C' ' 38' ' ' PHE . 2.1 mt -63.65 -34.0 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.17 0.51 . . . . 0.0 109.948 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.427 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 22.1 mtpt -84.25 -29.78 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.666 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 31.2 t -44.35 135.63 4.26 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.395 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -61.72 -48.18 9.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.468 2.112 . . . . 0.0 112.017 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.83 -55.06 39.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.551 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.455 ' CD2' ' CG2' ' C' ' 41' ' ' THR . 16.4 t80 -56.77 -46.83 81.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.624 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -55.97 -36.95 68.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.592 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -63.75 -41.19 98.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 26.4 mt -60.85 -47.16 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.432 HD23 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -67.63 -34.64 77.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.243 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -53.85 -54.02 44.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.993 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . 0.4 HD13 ' N ' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -58.3 -46.27 86.41 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.602 178.758 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -60.17 -31.25 69.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.911 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -41.68 99.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.651 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -60.77 -43.77 97.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.459 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' C' ' 60' ' ' LEU . 5.7 mt -61.41 -34.64 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.825 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -43.34 95.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.614 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -42.17 95.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.102 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' C' ' 57' ' ' ILE . 1.0 OUTLIER -51.83 -54.8 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.507 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -30.52 69.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.036 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.17 5.85 61.37 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 113.378 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.22 21.88 0.75 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 117.203 0.501 . . . . 0.0 111.608 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mt -79.35 129.15 34.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.691 0.281 . . . . 0.0 110.663 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 -179.884 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 15.6 m 41.84 61.41 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.662 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 123.71 16.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.76 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.493 ' CD1' HG21 ' D' ' 133' ' ' VAL . 0.1 OUTLIER -94.54 -164.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.48 HD22 ' CZ ' ' D' ' 125' ' ' PHE . 14.2 tp -139.55 -41.6 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.446 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.85 110.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.2 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.53 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 0.9 OUTLIER -55.36 -25.69 17.67 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.768 -179.063 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.53 -47.23 82.49 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.075 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -33.6 54.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.683 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.515 ' CD2' HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.15 -30.01 64.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.271 179.396 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 8.3 t80 -72.38 -50.31 27.49 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.941 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -62.94 -28.77 70.3 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 35.3 m -63.24 -53.22 56.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.722 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.8 OUTLIER -58.18 -37.29 74.46 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . 0.423 ' HE2' ' CE1' ' D' ' 90' ' ' PHE . 0.6 OUTLIER -59.52 -37.2 77.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.0 OUTLIER -72.36 -48.54 40.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.107 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.417 ' HA ' ' HB ' ' D' ' 99' ' ' THR . 12.0 mt -55.41 -43.12 70.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.612 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . 0.412 ' HB3' ' CG2' ' D' ' 109' ' ' ILE . 12.7 pt20 -63.13 -43.5 98.21 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.557 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . 0.407 ' N ' ' HG3' ' D' ' 97' ' ' GLN . 2.4 m80 -86.02 -0.89 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.451 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 99' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.6 m -102.61 -32.64 9.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.495 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.416 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 78.4 mt -90.97 -48.75 6.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.288 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.53 34.98 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.654 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.81 19.18 11.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.928 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.93 -70.15 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -32.94 70.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.101 0.476 . . . . 0.0 109.971 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.428 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 90.9 p -70.05 -40.05 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.622 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -34.74 78.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 110.359 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.89 -40.75 72.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.427 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . 0.41 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 15.2 m-20 -70.93 -40.96 71.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.753 0.787 . . . . 0.0 109.119 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.435 HG13 ' CD2' ' A' ' 19' ' ' LEU . 5.3 mt -62.38 -49.52 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.551 178.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 12.3 t -55.96 -37.94 69.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.306 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.92 -50.25 73.13 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.49 -43.83 98.17 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . . . . . . . . . 5.1 mt -55.5 -39.25 70.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.346 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.83 -52.1 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.398 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.464 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 2.8 mp -59.53 -49.38 78.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.351 0.596 . . . . 0.0 109.945 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.449 ' CG1' HG22 ' D' ' 86' ' ' ILE . 61.8 t -55.45 -36.99 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.676 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.468 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 53.9 mt-30 -89.18 -10.3 47.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.25 127.59 32.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 0.0 110.48 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -58.95 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.532 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.52 -47.47 85.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.0 t80 -55.93 -51.87 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.753 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -38.85 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.995 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -59.99 -48.65 80.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . 0.446 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -58.77 -49.22 78.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.015 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.48 ' CZ ' HD22 ' D' ' 84' ' ' LEU . 2.9 t80 -60.31 -40.34 90.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.463 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -35.68 81.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.626 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' D' ' 124' ' ' ALA . 10.6 mt -64.06 -49.63 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.01 0.433 . . . . 0.0 110.444 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.636 ' O ' ' HB ' ' D' ' 132' ' ' THR . 20.2 t-80 -63.18 -45.63 90.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.317 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . 0.413 ' O ' HG21 ' D' ' 133' ' ' VAL . 25.6 t-20 -55.31 -60.81 2.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.67 -52.0 65.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . 0.436 HD12 HG23 ' D' ' 131' ' ' ILE . 52.8 mt -56.11 -40.78 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.357 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.636 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -60.67 -43.96 97.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.263 0.554 . . . . 0.0 109.565 178.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.493 HG21 ' CD1' ' D' ' 83' ' ' ILE . 50.5 t -55.65 -51.66 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.542 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -64.02 -30.71 71.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.107 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.2 ttm -54.66 -62.05 1.91 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -62.18 -39.21 91.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.006 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -66.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 60.76 155.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.098 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.334 -0.841 . . . . 0.0 111.016 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.676 0.274 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.74 -28.91 59.79 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.588 2.192 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.12 -35.88 81.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.96 -35.25 76.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.86 -53.39 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.3 tttt -53.76 -43.35 69.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 mmt -60.64 -44.5 96.32 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 25.1 tp60 -68.23 -31.37 70.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.662 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.403 HG22 ' CD2' ' D' ' 115' ' ' LEU . 60.8 t -62.69 -56.34 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.637 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 20.7 mt -55.49 -42.6 74.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.046 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -69.63 -28.24 65.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.555 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.415 HG11 ' HB3' ' D' ' 108' ' ' ASP . 2.1 t -73.66 -37.02 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.942 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' O ' HD11 ' A' ' 35' ' ' LEU . 10.7 mt -64.75 -45.19 87.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.992 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -67.67 -39.26 84.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.777 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -53.21 18.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' D' ' 109' ' ' ILE . 35.8 mt -52.28 -57.8 8.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.045 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HB2' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -56.88 -37.85 71.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.258 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.43 -44.4 93.64 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.544 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.72 -41.1 98.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 23.4 mt -62.96 -50.43 70.82 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.681 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -54.47 -31.16 55.18 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.271 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 1.1 mm-40 -83.38 -32.11 26.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.886 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -73.67 -31.8 63.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.991 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.37 6.47 9.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.288 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -110.94 82.97 1.68 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.947 0.404 . . . . 0.0 110.051 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.61 32.26 1.86 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.282 0.563 . . . . 0.0 109.637 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.3 m -101.09 -40.5 7.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.466 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.43 ' HG3' ' CD2' ' D' ' 95' ' ' HIS . 3.2 mm-40 -72.36 -26.16 61.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.583 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' HB2' ' A' ' 20' ' ' ARG . 33.6 p-10 -47.98 -46.32 32.48 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -32.89 66.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.061 0.458 . . . . 0.0 110.007 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -75.85 -44.64 39.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.876 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.406 HD11 ' O ' ' A' ' 16' ' ' LEU . 2.3 mt -63.4 -31.45 72.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.128 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.4 m -77.09 -32.59 56.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.636 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB1' ' CD1' ' D' ' 84' ' ' LEU . . . -70.98 -48.07 55.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.436 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.426 ' CD1' HD12 ' A' ' 42' ' ' LEU . 4.5 t80 -66.72 -46.37 75.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.343 0.592 . . . . 0.0 109.843 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.477 ' CZ ' ' HE3' ' A' ' 43' ' ' LYS . 11.4 t80 -58.04 -53.42 58.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.792 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.82 -52.07 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.644 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.3 m -57.05 -33.01 66.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.326 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.426 HD12 ' CD1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -65.12 -36.02 82.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.993 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -71.96 -29.77 64.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.779 179.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.6 t -45.42 125.9 6.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.443 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -60.5 -46.69 16.49 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.28 1.987 . . . . 0.0 111.718 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' CD1' HG12 ' C' ' 57' ' ' ILE . 0.2 OUTLIER -57.77 -53.09 62.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.325 179.708 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.487 ' CE1' ' CD2' ' A' ' 51' ' ' LEU . 12.6 t80 -58.19 -48.08 81.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.377 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -55.98 -37.08 68.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.57 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -61.61 -44.07 97.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.262 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 mt -58.61 -43.09 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.796 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.487 ' CD2' ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -68.67 -36.93 79.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.8 m -53.66 -50.66 65.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.1 0.476 . . . . 0.0 110.014 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -45.85 92.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.705 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.65 -32.88 72.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.401 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -63.63 -40.53 97.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 t -60.77 -43.15 98.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.455 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.402 ' CD1' ' CD1' ' C' ' 46' ' ' LEU . 7.7 mt -61.58 -36.86 75.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.044 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -60.53 -38.58 84.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.742 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -63.94 -40.5 96.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.99 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.42 -49.06 73.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.671 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -59.73 -49.07 79.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.93 -38.36 95.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.621 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -54.79 22.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.878 0.37 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.33 87.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.728 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.671 0.272 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 26.8 m -145.43 35.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 111.263 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.88 135.37 46.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.636 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.451 ' CD1' ' CG2' ' B' ' 133' ' ' VAL . 0.2 OUTLIER -91.73 -165.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.84 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' C' ' 38' ' ' PHE . 69.6 tp -141.38 -45.0 0.37 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.832 0.348 . . . . 0.0 111.541 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.06 100.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.087 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.526 HG13 HD22 ' B' ' 89' ' ' LEU . 0.8 OUTLIER -49.88 -27.51 3.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.578 -179.4 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.01 -46.09 89.29 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.276 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -77.15 -36.54 55.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.129 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.526 HD22 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.43 -29.7 63.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.607 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.46 -46.82 53.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.132 0.492 . . . . 0.0 109.849 179.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 59.7 m -61.51 -34.01 74.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.678 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' SER . . . . . 0.417 ' CB ' ' HG2' ' C' ' 34' ' ' LYS . 0.6 OUTLIER -62.31 -53.5 54.16 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.631 179.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.684 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.6 OUTLIER -55.02 -35.65 64.65 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -45.37 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.571 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -66.86 -55.66 13.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' B' ' 93' ' ' LEU . 4.1 mt -50.86 -33.55 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.19 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' B' ' 93' ' ' LEU . 0.5 OUTLIER -65.18 -48.68 72.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.94 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.22 -21.64 49.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.002 0.43 . . . . 0.0 110.419 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -84.67 -33.36 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.273 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.457 ' HB2' ' CD1' ' B' ' 109' ' ' ILE . 94.1 mt -108.48 79.96 1.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.79 38.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.122 -178.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.63 17.41 5.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.925 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' B' ' 106' ' ' GLN . 5.9 m 70.91 -68.2 0.22 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.783 0.325 . . . . 0.0 111.041 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -30.58 70.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.471 . . . . 0.0 109.828 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.432 ' CB ' ' HB3' ' B' ' 100' ' ' LEU . 0.2 OUTLIER -72.08 -47.01 54.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.748 179.52 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.498 ' HA ' HD11 ' B' ' 109' ' ' ILE . 5.0 pt20 -61.65 -30.25 70.59 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.872 0.367 . . . . 0.0 110.232 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -71.18 -41.21 70.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.282 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.401 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 30.8 m-20 -70.27 -41.34 73.59 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.498 HD11 ' HA ' ' B' ' 106' ' ' GLN . 4.8 mt -60.23 -49.46 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.494 178.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 49.4 m -56.39 -34.41 66.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.605 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.69 -51.45 68.72 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.828 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.412 ' CD2' HG11 ' C' ' 15' ' ' VAL . 3.1 mt -62.82 -43.72 98.04 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' B' ' 93' ' ' LEU . 5.5 mt -56.1 -40.76 74.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.782 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.97 -51.82 66.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.447 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.4 mp -60.13 -50.32 74.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.215 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.42 ' CG1' HG21 ' B' ' 86' ' ' ILE . 43.3 t -59.37 -35.89 60.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.473 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -89.57 -6.38 56.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.664 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.05 151.62 42.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.553 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.12 -58.65 3.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.232 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.49 -47.35 86.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.961 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 9.8 t80 -55.59 -51.07 68.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.651 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 71.3 mt-30 -54.23 -41.19 68.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.436 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.5 OUTLIER -59.65 -49.66 76.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.11 -45.02 87.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.008 0.432 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.46 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 1.9 t80 -59.91 -38.4 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 2.8 mmtt -65.08 -38.47 90.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.71 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.453 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 18.5 mt -60.83 -49.46 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.123 0.487 . . . . 0.0 110.465 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.71 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.5 t-80 -66.88 -28.68 68.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -64.67 -60.95 2.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.39 -50.78 62.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 64.8 mt -53.75 -41.59 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 121.25 -0.18 . . . . 0.0 111.191 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.71 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -61.81 -48.66 79.63 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.737 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.451 ' CG2' ' CD1' ' B' ' 83' ' ' ILE . 39.8 t -55.61 -51.22 60.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.799 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -63.47 -30.85 71.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.271 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 15.9 ttm -56.66 -54.3 47.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.899 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -78.92 -34.85 44.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -72.56 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -80.41 76.56 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.878 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.764 0.316 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.21 -22.85 74.82 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.701 2.267 . . . . 0.0 112.423 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.94 -29.44 63.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.33 -43.19 92.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.001 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -62.51 -54.39 40.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.436 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.5 tmmm? -59.1 -43.18 91.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.56 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.2 tpt -61.47 -49.2 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -62.8 -33.19 74.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.74 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' C' ' 16' ' ' LEU . 25.4 t -60.7 -56.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.509 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' C' ' 9' ' ' LYS . 15.6 mt -53.53 -42.4 67.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 110.365 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -28.4 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.739 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' B' ' 112' ' ' LEU . 3.2 t -75.13 -36.36 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.906 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 69.2 mt -64.29 -42.62 96.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -70.09 -44.93 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.979 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -54.52 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.269 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' B' ' 109' ' ' ILE . 65.9 mt -54.85 -56.99 13.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.429 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . 0.412 ' CA ' HD12 ' C' ' 35' ' ' LEU . 0.2 OUTLIER -54.55 -30.29 53.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.764 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.21 -43.39 80.31 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.229 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.418 ' CB ' ' CD2' ' B' ' 100' ' ' LEU . 2.4 mmtp -59.39 -37.33 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 110.492 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 22.9 mt -66.37 -50.07 64.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.506 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -27.3 62.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.324 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.75 -33.9 27.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.441 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -80.45 -30.65 37.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.403 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.56 20.96 3.75 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.684 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -116.44 81.89 1.7 Allowed 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.983 0.421 . . . . 0.0 110.05 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.12 8.67 31.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.394 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -86.74 -42.8 13.05 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.306 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -72.41 -22.5 61.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.502 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.91 -38.18 75.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.452 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.74 -42.13 78.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.848 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.417 ' HG2' ' CB ' ' B' ' 92' ' ' SER . 0.0 OUTLIER -60.56 -55.07 37.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.048 178.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' C' ' 35' ' ' LEU . 1.1 mt -57.96 -33.7 69.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.422 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -77.12 -32.48 56.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.013 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.417 ' CB ' ' CD1' ' B' ' 84' ' ' LEU . . . -72.18 -42.05 66.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.431 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.483 ' HB2' ' CD2' ' B' ' 84' ' ' LEU . 7.4 t80 -71.72 -47.43 53.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.467 0.651 . . . . 0.0 109.769 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.472 ' CZ ' ' NZ ' ' C' ' 43' ' ' LYS . 80.7 t80 -53.55 -53.12 56.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.316 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.51 -52.31 65.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.971 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' THR . . . . . 0.409 HG22 ' CD2' ' C' ' 47' ' ' PHE . 86.6 m -59.66 -33.32 71.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 110.374 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.441 ' CD1' ' CZ ' ' C' ' 38' ' ' PHE . 0.3 OUTLIER -62.67 -36.74 83.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.983 179.182 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.472 ' NZ ' ' CZ ' ' C' ' 39' ' ' TYR . 0.0 OUTLIER -71.27 -33.32 69.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.408 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 27.9 m -45.95 124.66 6.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.162 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.46 -42.41 34.09 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.237 1.958 . . . . 0.0 111.5 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.402 ' CD1' ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -57.82 -55.56 33.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.629 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.421 ' CE1' HD23 ' C' ' 51' ' ' LEU . 10.6 t80 -60.89 -41.99 97.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.329 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -58.45 -34.99 71.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.343 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -67.48 -39.45 85.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.323 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 40.3 mt -59.73 -44.75 94.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.804 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.421 HD23 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -67.23 -36.81 82.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.329 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 73.4 m -53.99 -50.41 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.992 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -46.31 89.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.894 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -33.52 72.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.942 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -40.03 95.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.85 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.97 -48.0 83.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.739 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.417 HG12 ' CD1' ' A' ' 46' ' ' LEU . 6.5 mt -60.27 -35.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.048 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -61.7 -36.37 80.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.623 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.02 -39.87 90.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.775 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' C' ' 57' ' ' ILE . 0.8 OUTLIER -53.81 -55.11 29.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.389 179.265 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -63.23 -30.13 71.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.9 -67.54 1.65 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.78 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.43 -44.56 17.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.734 0.302 . . . . 0.0 111.365 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.36 -75.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.802 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 179.852 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.847 0.356 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 7.0 m 41.4 80.68 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.008 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.62 145.4 25.7 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.858 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.45 ' CD1' ' N ' ' D' ' 83' ' ' ILE . 0.0 OUTLIER -104.24 -165.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.121 0.486 . . . . 0.0 111.244 -179.778 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 38' ' ' PHE . 9.5 tp -145.46 -32.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.354 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.36 109.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.741 0.305 . . . . 0.0 110.41 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 0.8 OUTLIER -55.99 -28.76 25.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.812 -179.315 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.11 -44.97 94.18 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.347 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -34.82 50.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.839 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.53 HD22 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.13 -29.67 64.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.37 179.287 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 13.6 t80 -72.29 -50.25 28.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.941 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 35.7 m -62.03 -30.17 70.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.642 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -62.77 -52.13 64.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.354 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.7 OUTLIER -57.24 -36.89 71.5 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.488 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -59.92 -38.46 82.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.826 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . 0.43 ' CD2' ' HG3' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -71.27 -50.47 32.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.486 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' D' ' 93' ' ' LEU . 10.2 mt -55.75 -39.72 57.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.09 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -50.97 68.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.99 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -80.99 -1.37 43.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.541 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 99' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' D' ' 95' ' ' HIS . 1.5 m -100.7 -33.86 10.1 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.752 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.426 HD13 HD13 ' D' ' 109' ' ' ILE . 36.4 mt -87.91 -51.78 5.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.31 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.35 36.09 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.812 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.3 OUTLIER -99.84 23.17 10.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.765 179.661 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.73 -72.02 0.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.749 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -59.74 -31.27 69.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.032 0.444 . . . . 0.0 109.876 179.338 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -40.82 75.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.445 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -32.26 73.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.075 0.464 . . . . 0.0 110.129 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -71.05 -40.78 71.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.417 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . 0.415 ' HB3' HG11 ' A' ' 15' ' ' VAL . 70.4 m-20 -70.65 -44.43 67.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.802 0.811 . . . . 0.0 108.813 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.466 HG13 ' CD2' ' A' ' 19' ' ' LEU . 6.3 mt -60.43 -49.07 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.73 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 110' ' ' SER . . . . . 0.401 ' HA ' ' CD1' ' D' ' 113' ' ' LEU . 7.8 m -57.56 -34.06 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.353 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -51.42 70.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.1 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . 0.403 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.9 mt -61.67 -43.34 99.05 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' D' ' 117' ' ' GLN . 6.1 mt -55.22 -50.3 69.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.489 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 6.8 mt-30 -61.32 -44.26 97.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.396 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.483 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 1.6 mp -60.11 -37.98 81.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.966 179.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.445 ' CG1' HG23 ' D' ' 86' ' ' ILE . 83.2 t -69.24 -53.73 23.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.625 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -63.21 -18.89 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.793 -179.326 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -53.15 114.3 1.42 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.789 0.328 . . . . 0.0 110.534 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . 0.494 ' HG2' ' N ' ' D' ' 120' ' ' ASP . 0.0 OUTLIER -47.99 -47.51 33.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.934 -179.143 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . 0.494 ' N ' ' HG2' ' D' ' 119' ' ' LYS . 0.9 OUTLIER -65.94 -50.66 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.111 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 2.9 t80 -59.58 -44.86 93.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.03 0.443 . . . . 0.0 110.288 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 7.9 tt0 -55.96 -41.7 75.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.235 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.424 ' HB3' HG12 ' B' ' 127' ' ' ILE . 21.9 m120 -64.81 -42.46 94.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.766 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.23 77.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.086 0.47 . . . . 0.0 110.864 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.457 ' CG ' ' CD1' ' D' ' 86' ' ' ILE . 11.4 t80 -59.37 -37.44 77.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.988 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 5.7 mmpt? -63.92 -36.22 83.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.665 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.453 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 15.4 mt -64.66 -49.37 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.656 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.592 ' O ' ' HB ' ' D' ' 132' ' ' THR . 21.0 t-80 -64.08 -50.16 69.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -55.59 -58.7 6.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.723 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.75 -52.16 66.9 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . 0.435 HD12 HG22 ' D' ' 131' ' ' ILE . 60.9 mt -59.59 -43.41 90.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.234 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.592 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -62.62 -46.69 87.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.106 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.41 ' N ' ' CG2' ' D' ' 132' ' ' THR . 92.0 t -58.08 -48.05 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.096 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -63.16 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.011 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 4.9 ttm -59.41 -45.95 90.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.349 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -66.57 -41.36 88.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.778 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -58.97 6.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.53 124.23 22.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.875 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.484 0.183 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.25 -27.81 55.93 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.452 2.102 . . . . 0.0 112.42 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.4 64.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.93 -36.25 70.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.75 -56.83 11.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.2 tmmm? -61.06 -43.82 98.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.603 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 tpt -61.6 -46.91 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' O ' HG22 ' A' ' 15' ' ' VAL . 28.6 tp60 -62.73 -38.76 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.7 t -54.92 -54.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.524 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.448 ' HB3' ' CE1' ' A' ' 39' ' ' TYR . 14.5 mt -53.93 -45.11 71.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.287 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -28.72 68.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.979 178.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 11' ' ' GLN . 10.7 t -73.31 -37.73 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.895 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.443 ' O ' HD13 ' A' ' 35' ' ' LEU . 12.3 mt -64.3 -43.14 95.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.138 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -72.18 -33.08 67.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -53.66 13.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.713 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' D' ' 109' ' ' ILE . 85.4 mt -55.44 -57.19 12.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 0.0 110.622 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.447 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 2.1 ppt_? -56.24 -35.07 66.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.823 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.68 -43.82 98.74 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.489 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -34.88 79.17 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB3' ' O ' ' A' ' 28' ' ' ASP . 14.8 mt -68.57 -50.09 54.48 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.275 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -57.76 -26.99 62.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.188 179.437 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 4.2 mm-40 -82.51 -32.09 28.91 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.165 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.19 -39.03 50.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.08 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.79 -4.3 5.75 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.721 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 86.1 m-20 -100.49 80.06 2.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.327 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.73 5.91 33.97 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.144 0.497 . . . . 0.0 110.005 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.9 m -69.05 -54.18 16.46 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.45 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.427 ' HG2' ' CD2' ' D' ' 95' ' ' HIS . 3.4 mp0 -71.63 -23.99 61.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.144 179.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -54.23 -46.36 72.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.346 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -32.83 66.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.176 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -66.03 -47.45 74.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.212 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.2 mt -61.46 -30.9 70.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.489 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -76.53 -31.88 57.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.868 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.9 -48.56 44.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.485 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.484 ' CE1' ' CD1' ' A' ' 42' ' ' LEU . 5.5 t80 -69.15 -40.71 78.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.194 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.461 ' CE1' ' CD ' ' A' ' 43' ' ' LYS . 2.0 t80 -58.9 -53.38 59.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.776 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -59.32 -38.71 80.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.557 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.45 ' CG2' ' CE1' ' A' ' 47' ' ' PHE . 91.7 m -63.08 -45.85 90.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.514 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.484 ' CD1' ' CE1' ' A' ' 38' ' ' PHE . 6.2 mt -60.2 -32.58 71.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.207 0.527 . . . . 0.0 110.396 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.461 ' CD ' ' CE1' ' A' ' 39' ' ' TYR . 23.0 mtpt -77.63 -29.9 52.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.663 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.2 m -45.43 142.21 3.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.329 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -62.52 -64.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.54 2.16 . . . . 0.0 112.87 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -57.35 -34.36 68.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.722 -179.783 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.472 ' N ' ' HG ' ' A' ' 46' ' ' LEU . 31.9 t80 -63.28 -47.35 82.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.115 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -55.55 -35.56 65.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.903 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -64.65 -40.17 94.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.289 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.425 HG12 ' CD2' ' C' ' 53' ' ' LEU . 1.9 mt -62.98 -44.67 99.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.752 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.432 HD21 ' CE2' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -70.68 -43.2 69.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.55 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.8 m -54.92 -45.87 74.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.39 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.29 -47.71 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.287 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.72 -42.57 89.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.752 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -33.3 74.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.396 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.77 -42.31 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.764 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.452 HG12 ' CD1' ' C' ' 46' ' ' LEU . 2.4 mt -61.15 -44.0 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.152 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -55.13 -44.32 74.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.259 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -58.92 -41.12 86.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.093 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mt -61.54 -41.46 97.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.615 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -43.3 92.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.86 -30.46 38.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.52 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -68.9 -46.09 69.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.735 0.302 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.5 mt -59.18 115.39 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.822 0.344 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 m 40.72 56.28 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.894 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.82 92.53 3.97 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.148 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.48 ' H ' ' CD1' ' B' ' 83' ' ' ILE . 0.2 OUTLIER -84.85 -172.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.033 -179.713 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.562 ' O ' ' O ' ' B' ' 85' ' ' GLU . 2.2 pt? -165.95 21.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.562 ' O ' ' O ' ' B' ' 84' ' ' LEU . 2.1 mm-40 44.44 113.16 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.95 0.405 . . . . 0.0 111.869 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.553 ' HA ' ' CD2' ' B' ' 89' ' ' LEU . 0.9 OUTLIER -51.51 -27.42 7.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -42.25 99.2 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.059 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.79 -40.61 40.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.701 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.553 ' CD2' ' HA ' ' B' ' 86' ' ' ILE . 0.2 OUTLIER -73.16 -28.18 62.08 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.639 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.484 ' CB ' ' O ' ' B' ' 86' ' ' ILE . 18.6 t80 -69.37 -48.26 61.81 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 25.0 t -64.38 -29.34 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' SER . . . . . 0.402 ' C ' HD11 ' B' ' 96' ' ' ILE . 0.2 OUTLIER -63.74 -50.62 68.38 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.522 179.409 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' B' ' 89' ' ' LEU . 0.7 OUTLIER -59.15 -37.82 78.23 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.89 0.376 . . . . 0.0 110.029 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.71 -38.87 82.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.839 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 0.2 OUTLIER -72.06 -46.28 57.54 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.284 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.483 ' HA ' ' HB ' ' B' ' 99' ' ' THR . 19.4 mt -54.63 -44.81 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.863 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.442 ' HG3' HG22 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -58.42 -48.47 80.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.505 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.24 -0.96 51.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.015 0.436 . . . . 0.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' THR . . . . . 0.483 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 2.8 m -100.42 -31.24 11.4 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.427 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 26.3 mt -92.51 -49.7 5.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.212 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.85 34.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.716 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -96.96 19.93 11.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.79 -70.85 0.1 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.65 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -29.16 67.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.041 0.448 . . . . 0.0 110.013 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 0.4 OUTLIER -70.7 -42.94 69.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.642 179.505 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -35.73 79.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.402 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.75 -40.93 75.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.724 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.412 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 50.1 m-20 -70.56 -43.17 70.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.768 0.794 . . . . 0.0 108.951 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.445 HG13 ' CD2' ' C' ' 19' ' ' LEU . 5.0 mt -59.7 -49.13 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.504 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 6.0 t -56.07 -35.69 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.913 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -51.33 69.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.958 178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.421 ' CD2' HG13 ' C' ' 15' ' ' VAL . 1.6 mt -63.51 -39.51 94.61 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 5.2 mt -60.31 -39.63 87.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.441 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -52.33 64.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 0.8 OUTLIER -60.98 -50.62 72.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.276 0.56 . . . . 0.0 109.8 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.427 ' CG1' HG21 ' B' ' 86' ' ' ILE . 73.9 t -53.7 -36.04 28.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.513 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 53.0 mt-30 -90.91 -9.97 44.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.32 130.21 45.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.782 0.325 . . . . 0.0 110.418 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -58.91 4.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.653 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.75 -49.8 73.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.189 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.491 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.4 t80 -55.46 -56.1 24.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.34 . . . . 0.0 110.679 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -51.67 -37.12 49.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.5 ' HB3' HG12 ' D' ' 127' ' ' ILE . 3.7 m-20 -62.04 -51.86 66.3 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.771 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.89 -49.31 75.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.241 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.483 ' HA ' ' CE1' ' C' ' 47' ' ' PHE . 40.1 t80 -53.06 -39.91 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.14 -37.26 80.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.57 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.477 HG13 ' O ' ' B' ' 123' ' ' ASN . 14.8 mt -67.26 -49.91 67.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.003 0.43 . . . . 0.0 110.646 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.759 ' O ' ' HB ' ' B' ' 132' ' ' THR . 27.4 t-80 -68.59 -27.71 66.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.905 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.447 ' HA ' ' CG2' ' B' ' 83' ' ' ILE . 0.9 OUTLIER -67.43 -60.86 2.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.222 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.57 -49.34 71.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.409 ' CG2' HG22 ' A' ' 57' ' ' ILE . 62.7 mt -56.74 -43.1 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.452 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.759 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.3 OUTLIER -61.21 -49.25 77.9 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.331 0.586 . . . . 0.0 109.56 179.022 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' B' ' 129' ' ' ASN . 58.4 t -52.79 -48.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.385 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.9 -32.09 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.4 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 29.5 ttm -56.75 -57.25 13.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -76.57 -34.75 58.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -60.41 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -123.84 139.75 53.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 48.8 p . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.897 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.537 0.208 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.27 -27.86 78.48 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.399 2.066 . . . . 0.0 112.371 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.65 -36.47 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.17 -32.02 69.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.5 -54.51 35.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.701 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 1.3 tmtt? -54.74 -41.68 70.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.711 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.7 tpt -61.49 -47.76 84.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.121 0.486 . . . . 0.0 109.723 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -65.36 -30.98 71.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.809 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 74.2 t -62.55 -53.73 43.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.63 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' C' ' 9' ' ' LYS . 20.2 mt -56.64 -43.92 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.72 68.45 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.421 HG13 ' CD2' ' B' ' 112' ' ' LEU . 2.1 t -73.12 -38.61 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.837 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' C' ' 39' ' ' TYR . 19.7 mt -64.45 -35.39 80.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.533 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -43.9 69.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.845 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -63.65 -54.77 30.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.032 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 84.9 mt -53.19 -53.69 46.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.995 0.426 . . . . 0.0 110.265 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . 0.433 ' HD2' ' CB ' ' C' ' 32' ' ' ASN . 0.6 OUTLIER -49.62 -42.44 44.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.947 179.577 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.62 93.03 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.108 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -60.2 -40.23 89.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.696 0.284 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.46 ' HB3' ' O ' ' C' ' 28' ' ' ASP . 19.1 mt -61.88 -50.84 70.6 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 120.876 0.369 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.48 -26.64 66.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.163 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.22 -31.34 30.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.839 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -86.53 -34.78 19.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.441 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.32 -18.39 8.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.681 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . 0.46 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 35.5 m-20 -70.96 76.61 0.65 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.99 0.424 . . . . 0.0 110.076 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.62 14.15 8.94 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.985 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 91.8 m -82.62 -35.97 26.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.647 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.475 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 0.6 OUTLIER -86.94 -26.41 23.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.336 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . 0.433 ' CB ' ' HD2' ' C' ' 20' ' ' ARG . 2.4 m120 -45.96 -50.95 14.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.975 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -33.28 67.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.08 0.467 . . . . 0.0 110.178 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.434 ' HA ' HD12 ' B' ' 84' ' ' LEU . 7.8 mmmm -68.17 -49.6 59.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.171 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 mt -57.91 -29.46 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.803 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 39.9 m -73.58 -38.95 65.0 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.245 0.545 . . . . 0.0 109.793 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.429 ' CB ' ' HB3' ' B' ' 84' ' ' LEU . . . -69.51 -47.79 62.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.398 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.436 ' CD1' HD22 ' B' ' 89' ' ' LEU . 2.1 t80 -63.83 -37.01 85.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.002 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.471 ' CZ ' ' NZ ' ' C' ' 43' ' ' LYS . 87.7 t80 -70.15 -54.0 14.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.795 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.3 -50.53 71.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.568 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 91.4 m -53.09 -41.78 65.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.338 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.54 -37.09 80.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.876 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.471 ' NZ ' ' CZ ' ' C' ' 39' ' ' TYR . 0.0 OUTLIER -75.07 -28.55 60.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.123 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.3 m -45.74 146.51 1.88 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.557 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.21 -48.04 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.598 2.199 . . . . 0.0 112.531 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.452 ' CD1' HG12 ' A' ' 57' ' ' ILE . 3.1 mm? -57.88 -55.49 34.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.483 ' CE1' ' HA ' ' B' ' 125' ' ' PHE . 4.9 t80 -53.8 -46.58 71.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -55.63 -40.48 72.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -62.15 -41.96 98.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.1 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . 0.494 ' O ' ' HG2' ' C' ' 54' ' ' GLN . 25.7 mt -60.88 -53.0 55.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.758 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' C' ' 47' ' ' PHE . 0.5 OUTLIER -58.56 -38.23 77.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.261 179.663 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 85.5 m -53.58 -44.84 69.67 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . 0.425 ' CD2' HG12 ' A' ' 50' ' ' ILE . 1.1 tp -61.67 -38.4 87.64 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.84 178.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' C' ' 50' ' ' ILE . 4.2 mm-40 -64.76 -38.52 91.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.891 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -59.23 -40.48 86.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.309 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -61.74 -53.31 57.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.19 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.446 ' CD1' ' CD1' ' A' ' 46' ' ' LEU . 29.3 mt -63.22 -34.83 69.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.49 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -42.46 99.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.048 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.99 -39.64 92.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.998 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' C' ' 64' ' ' LEU . 1.0 OUTLIER -54.89 -60.49 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.619 179.448 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -59.37 -37.37 77.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.19 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.09 -13.74 80.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 113.154 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.82 -71.64 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.931 0.365 . . . . 0.0 111.42 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' C' ' 60' ' ' LEU . 0.1 OUTLIER 55.69 166.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 111.161 -179.752 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.649 0 CA-C-O 121.083 0.468 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . 0.401 ' HB ' ' CG2' ' D' ' 132' ' ' THR . 33.3 m -156.76 49.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.125 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -66.46 102.6 0.91 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.371 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.49 ' CD1' HG21 ' D' ' 133' ' ' VAL . 1.2 pt -109.4 178.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.494 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' D' ' 89' ' ' LEU . 1.9 pt? -158.59 -2.32 0.09 Allowed 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.1 OUTLIER 58.89 143.16 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.983 0.42 . . . . 0.0 111.368 179.369 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.629 ' HA ' ' CD2' ' D' ' 89' ' ' LEU . 1.0 OUTLIER -70.37 -34.06 56.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.536 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -44.65 96.6 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.878 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.04 -40.95 52.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.808 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.629 ' CD2' ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -73.28 -27.39 61.53 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.714 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' D' ' 86' ' ' ILE . 1.4 t80 -69.34 -48.17 62.2 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 9.8 m -64.62 -30.26 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 92' ' ' SER . . . . . 0.432 ' C ' HD12 ' D' ' 96' ' ' ILE . 32.1 m -63.61 -51.64 64.36 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.637 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.9 OUTLIER -56.98 -39.22 74.22 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.68 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -37.31 77.45 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . 0.427 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 1.1 t60 -70.86 -51.44 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.432 HD12 ' C ' ' D' ' 92' ' ' SER . 10.6 mt -52.81 -39.95 33.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.895 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -49.33 75.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.778 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -83.12 -1.24 52.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.551 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 99' ' ' THR . . . . . 0.403 ' N ' ' O ' ' D' ' 95' ' ' HIS . 1.6 m -101.2 -32.53 10.49 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.407 HD11 HD21 ' A' ' 19' ' ' LEU . 72.8 mt -92.24 -51.67 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.275 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.02 34.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.667 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -95.09 20.22 9.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.936 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 16.0 m 67.11 -70.16 0.12 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.103 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -33.45 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.19 0.519 . . . . 0.0 110.115 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.411 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 87.7 p -70.7 -37.12 73.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.674 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.21 -37.41 87.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.389 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -39.72 75.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.29 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.63 -41.79 71.75 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' A' ' 19' ' ' LEU . 5.8 mt -60.24 -49.34 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.089 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 11.9 p -56.12 -35.43 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.778 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -51.18 70.13 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.964 178.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . 0.409 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.3 mt -63.57 -41.58 98.37 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 178.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' D' ' 117' ' ' GLN . 4.8 mt -57.76 -42.11 83.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.786 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.91 -50.06 73.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.007 0.432 . . . . 0.0 110.546 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 1.7 mp -60.97 -51.89 67.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.006 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.44 ' CG1' HG23 ' D' ' 86' ' ' ILE . 51.7 t -57.16 -30.19 34.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.65 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.447 ' NE2' ' CE1' ' D' ' 90' ' ' PHE . 73.9 mt-30 -94.62 -9.38 35.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.58 153.48 39.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.699 0.285 . . . . 0.0 110.361 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -59.07 2.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 111.362 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -48.35 81.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.935 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 7.5 t80 -55.97 -55.3 34.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.566 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -49.7 -37.79 30.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.461 ' HB3' ' CD1' ' B' ' 127' ' ' ILE . 30.0 m-20 -64.2 -42.92 96.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.187 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.86 -49.38 77.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.743 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.443 ' CD1' HD12 ' D' ' 86' ' ' ILE . 10.5 t80 -65.12 -35.93 82.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.347 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -62.56 -38.26 89.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.36 . . . . 0.0 110.677 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.5 HG12 ' HB3' ' B' ' 123' ' ' ASN . 56.4 mt -67.78 -49.67 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.645 ' O ' ' HB ' ' D' ' 132' ' ' THR . 23.7 t-80 -64.27 -47.3 80.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . 0.416 ' O ' HG21 ' D' ' 133' ' ' VAL . 3.4 t30 -54.91 -60.61 3.13 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.78 -52.26 65.84 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . 0.424 HD11 HG23 ' D' ' 131' ' ' ILE . 68.5 mt -56.91 -43.1 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.217 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.645 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -60.69 -46.83 88.87 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.089 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' D' ' 83' ' ' ILE . 75.5 t -55.65 -43.71 74.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.599 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -63.31 -31.21 72.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.034 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 4.1 ttm -62.28 -49.62 74.95 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.514 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -62.64 -37.4 86.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.781 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -55.61 9.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -83.3 174.56 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.847 179.876 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.0 t30 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.542 0.21 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.08 -28.05 57.15 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.396 2.064 . . . . 0.0 112.424 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.93 -31.01 70.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.075 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.26 92.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 12' ' ' VAL . 6.2 mm-40 -65.51 -39.19 91.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.448 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -62.23 -48.18 81.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.091 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.7 tpt -61.99 -45.05 95.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.435 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 6.4 tm0? -61.44 -35.44 77.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.536 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 9' ' ' LYS . 12.9 t -61.16 -47.61 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.547 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 13.9 mt -58.47 -44.55 89.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.263 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -28.64 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.165 0.507 . . . . 0.0 109.763 178.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.435 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 3.2 t -73.61 -39.86 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.055 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 12.8 mt -62.72 -40.6 97.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.526 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.58 -42.63 64.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.863 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -61.23 -54.7 40.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 90.1 mt -53.58 -52.69 58.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.947 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HG2' ' HA ' ' A' ' 32' ' ' ASN . 4.2 tmm_? -48.87 -46.43 42.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.149 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.91 -43.56 92.63 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.173 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 3.3 mttm -65.76 -32.06 73.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.579 0.228 . . . . 0.0 111.397 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 20.8 mt -71.21 -50.75 29.75 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.126 0.489 . . . . 0.0 110.675 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -26.81 67.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.173 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -82.85 -34.6 26.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.459 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 1.8 mptt -80.03 -29.96 39.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.391 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.0 21.59 3.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.46 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.468 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 39.4 m-20 -116.89 78.93 1.26 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.125 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.61 7.67 38.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.334 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.4 m -79.1 -53.58 6.86 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.162 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 3.3 mp0 -68.81 -13.37 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.483 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -55.04 -47.7 74.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -39.71 74.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.068 0.461 . . . . 0.0 110.086 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.508 ' HG3' HD13 ' D' ' 84' ' ' LEU . 0.1 OUTLIER -57.18 -55.04 39.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.287 179.11 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.4 mt -58.94 -33.25 70.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.194 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m -76.75 -33.29 58.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.173 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' D' ' 84' ' ' LEU . . . -74.18 -43.38 57.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.806 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.459 ' CE1' ' CD1' ' A' ' 42' ' ' LEU . 3.1 t80 -71.47 -45.08 63.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.196 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 13' ' ' LEU . 49.3 t80 -55.35 -53.16 59.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.984 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.64 -48.38 81.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.456 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 95.2 m -57.24 -42.72 81.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.459 ' CD1' ' CE1' ' A' ' 38' ' ' PHE . 5.0 mt -60.87 -35.55 76.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.126 0.489 . . . . 0.0 110.206 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 18.3 mtpt -76.77 -32.66 57.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.402 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.1 t -42.58 128.48 2.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.553 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.53 -53.49 3.94 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.478 2.119 . . . . 0.0 112.09 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.435 ' CD1' ' CG1' ' C' ' 57' ' ' ILE . 0.6 OUTLIER -57.93 -49.11 77.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.31 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.456 ' CD2' ' CG2' ' A' ' 41' ' ' THR . 31.2 t80 -57.78 -44.85 86.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -55.92 -35.08 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.163 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -66.06 -40.72 91.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.153 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt -59.55 -47.08 92.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.571 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.452 ' CD2' ' CE1' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -65.11 -43.31 92.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.08 179.35 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.3 m -56.0 -35.03 66.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.27 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -51.03 61.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.043 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.402 ' NE2' ' CB ' ' D' ' 124' ' ' ALA . 0.1 OUTLIER -59.05 -42.35 90.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.165 179.318 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -34.6 73.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.173 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.8 m -65.46 -39.47 92.03 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.918 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.452 ' HA ' ' CD2' ' A' ' 60' ' ' LEU . 3.0 mt -59.34 -46.2 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.092 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 5.4 mttt -63.91 -30.31 71.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.106 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -57.73 11.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.959 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -72.25 -27.51 62.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.049 0.452 . . . . 0.0 110.438 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . 24.3 mtmt -54.54 -39.76 68.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.995 0.426 . . . . 0.0 110.302 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.07 -31.14 12.41 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.834 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -132.69 51.88 2.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.808 0.337 . . . . 0.0 111.46 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -66.31 -81.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.196 -179.777 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.775 0.322 . . . . 0.0 111.061 -179.702 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.977 0.417 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -174.72 49.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.113 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 143.33 29.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.487 ' CD1' ' CG2' ' B' ' 133' ' ' VAL . 0.1 OUTLIER -87.3 -160.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.636 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' C' ' 38' ' ' PHE . 4.9 tp -160.44 -37.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.701 0.286 . . . . 0.0 111.293 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.36 112.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.722 0.296 . . . . 0.0 110.538 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' B' ' 90' ' ' PHE . 0.9 OUTLIER -54.74 -26.77 17.37 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.695 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -63.07 -49.83 72.98 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.161 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -33.39 60.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.157 0.503 . . . . 0.0 109.657 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.49 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -71.86 -30.02 65.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.391 179.526 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.545 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.1 t80 -71.62 -50.91 26.33 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.843 179.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 5.8 m -60.13 -31.85 70.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.665 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' SER . . . . . 0.4 ' O ' ' CD1' ' B' ' 96' ' ' ILE . 0.4 OUTLIER -61.35 -53.01 62.16 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.382 179.354 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.679 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.7 OUTLIER -56.33 -35.31 67.45 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.387 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' B' ' 90' ' ' PHE . 11.2 mmmm -58.68 -44.83 90.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.704 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -66.64 -55.73 13.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' B' ' 93' ' ' LEU . 4.1 mt -51.19 -33.84 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.109 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -65.73 -49.39 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.801 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -77.1 -20.47 55.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.436 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -84.38 -35.44 23.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.072 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' B' ' 105' ' ' SER . 85.3 mt -103.39 83.3 2.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.88 36.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.238 -178.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.72 16.34 10.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.034 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t 69.03 -68.18 0.19 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.203 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -56.61 -37.62 70.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.03 0.443 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.469 ' CB ' ' HB3' ' B' ' 100' ' ' LEU . 1.4 m -66.31 -38.14 87.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.738 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.93 -33.72 76.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.061 0.458 . . . . 0.0 110.072 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.14 -41.05 77.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.631 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.414 ' HB3' HG11 ' C' ' 15' ' ' VAL . 48.2 m-20 -70.3 -42.85 71.48 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.461 HG13 ' CD2' ' C' ' 19' ' ' LEU . 4.8 mt -59.91 -49.4 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.569 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 37.6 t -56.85 -34.44 67.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.795 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -51.48 68.62 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.769 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.422 ' CD2' HG12 ' C' ' 15' ' ' VAL . 3.0 mt -62.76 -44.21 96.78 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 8.1 mt -55.17 -40.9 71.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.807 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -61.9 -52.22 64.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.659 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.463 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 0.8 OUTLIER -61.15 -48.84 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.313 0.578 . . . . 0.0 110.077 179.377 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.432 HG11 ' CG2' ' B' ' 86' ' ' ILE . 52.2 t -58.39 -36.17 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.711 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 74.5 mt-30 -89.14 -9.93 49.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -62.1 134.68 56.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.831 0.348 . . . . 0.0 110.499 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -58.48 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.411 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.88 -50.1 75.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 111.039 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.1 t80 -55.77 -48.96 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.732 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.87 -38.17 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.46 ' O ' HG13 ' B' ' 127' ' ' ILE . 60.0 m-20 -66.56 -51.22 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.52 -49.15 75.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.39 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.454 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 12.0 t80 -58.65 -39.13 79.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.013 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -38.18 86.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.451 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.496 HG12 ' HB3' ' D' ' 123' ' ' ASN . 20.7 mt -62.32 -49.71 82.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.743 ' O ' ' HB ' ' B' ' 132' ' ' THR . 13.2 t-80 -65.06 -30.25 71.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.156 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -64.72 -61.31 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.12 -51.76 54.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 36.7 mt -53.87 -39.1 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.282 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.743 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.3 OUTLIER -63.81 -46.65 84.18 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.202 0.525 . . . . 0.0 109.603 178.672 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.487 ' CG2' ' CD1' ' B' ' 83' ' ' ILE . 42.5 t -52.59 -48.19 47.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.68 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -31.04 72.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.983 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' MET . . . . . 0.412 ' HG3' ' HG2' ' A' ' 61' ' ' LYS . 23.9 ttm -57.7 -61.74 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.926 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -60.35 -39.76 88.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -60.34 -61.97 2.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.57 146.45 40.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.06 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.954 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.512 0.196 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.8 -27.89 85.97 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.506 2.137 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.62 -29.36 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.997 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.4 -37.48 75.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -64.06 -58.07 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.733 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.467 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.1 tmtt? -58.4 -42.57 87.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.528 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -45.2 95.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.139 0.495 . . . . 0.0 109.682 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -66.69 -33.17 75.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.595 178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.74 -55.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.573 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' C' ' 9' ' ' LYS . 19.7 mt -55.16 -45.4 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.042 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -28.31 68.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.593 178.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.422 HG12 ' CD2' ' B' ' 112' ' ' LEU . 2.2 t -74.24 -37.75 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.99 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.406 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 8.3 mt -64.09 -40.17 95.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -70.23 -42.0 72.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.56 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -64.28 -54.16 37.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.461 ' CD2' HG13 ' B' ' 109' ' ' ILE . 62.3 mt -53.89 -57.46 10.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -30.04 60.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.76 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.58 -44.89 91.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.913 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -62.93 -39.95 96.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.788 0.328 . . . . 0.0 110.661 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 27.3 mt -60.11 -50.45 73.63 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -28.35 68.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.131 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.6 -31.98 28.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.677 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.87 -29.65 29.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.229 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.99 19.82 3.9 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.695 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -113.39 82.32 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.955 0.407 . . . . 0.0 110.115 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.2 30.26 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.841 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 20.5 m -102.97 -40.71 6.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.769 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -85.98 -25.22 26.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.36 -37.76 38.84 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.352 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -65.29 -32.84 74.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.164 0.507 . . . . 0.0 110.028 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -70.84 -45.62 64.19 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' C' ' 35' ' ' LEU . 1.4 mt -59.33 -32.71 70.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.149 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 48.8 m -75.67 -32.1 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.726 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.76 -48.23 64.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.405 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.442 ' HB2' ' CD2' ' B' ' 84' ' ' LEU . 3.8 t80 -68.08 -46.05 72.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.851 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.464 ' CZ ' ' NZ ' ' C' ' 43' ' ' LYS . 21.5 t80 -53.86 -53.42 52.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.113 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.0 -50.83 72.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 89.6 m -54.52 -36.97 64.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.466 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 3.4 mt -67.99 -29.53 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.166 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.464 ' NZ ' ' CZ ' ' C' ' 39' ' ' TYR . 0.0 OUTLIER -71.29 -32.65 68.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.531 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 30.8 m -53.22 132.41 51.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.223 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.66 -32.16 12.27 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.529 2.152 . . . . 0.0 112.126 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.412 HD13 HG12 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -64.53 -55.3 21.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.116 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.434 ' CE1' ' HA ' ' B' ' 125' ' ' PHE . 11.7 t80 -55.81 -42.78 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.314 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -41.86 75.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.704 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.92 -41.52 96.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.479 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 9.4 mt -59.05 -46.3 91.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.899 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.14 -36.61 83.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.426 179.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.1 m -53.99 -50.26 66.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.179 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -44.93 95.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.906 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -33.9 71.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.072 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -37.61 85.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.099 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -60.38 -50.36 73.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.069 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.441 ' CG2' ' CG2' ' D' ' 131' ' ' ILE . 56.5 mt -59.91 -34.71 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.118 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -57.81 -43.84 85.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.062 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -63.32 -40.19 96.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.24 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mt -53.79 -47.04 71.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.764 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -61.8 -50.73 71.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.2 -26.57 58.97 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.569 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -44.41 13.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 110.809 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 66.3 mt -70.07 126.99 31.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.746 0.308 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -170.58 63.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -86.56 149.42 24.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.75 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.469 ' O ' ' HB3' ' D' ' 84' ' ' LEU . 0.2 OUTLIER -94.85 -41.74 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.837 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.508 HD13 ' HG3' ' A' ' 34' ' ' LYS . 31.3 tp 74.87 -51.44 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.721 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 61.37 112.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.54 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 1.0 OUTLIER -55.22 -25.74 17.29 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.071 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.69 -46.17 86.69 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.359 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.12 -34.63 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.84 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' D' ' 93' ' ' LEU . 0.1 OUTLIER -72.11 -29.69 64.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.233 179.401 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.54 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 42.3 t80 -72.57 -50.19 27.21 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.107 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -61.3 -31.09 70.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.619 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 92' ' ' SER . . . . . 0.407 ' CB ' ' HG2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -64.1 -51.62 63.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.758 179.467 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.8 OUTLIER -55.81 -37.81 69.15 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -59.35 -41.79 90.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.6 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.58 -53.63 26.63 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.425 ' HA ' ' HB ' ' D' ' 99' ' ' THR . 9.5 mt -51.03 -41.05 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.81 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . 0.438 ' HG3' HG21 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -60.46 -53.16 60.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.039 179.693 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -80.03 -2.97 46.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.02 0.438 . . . . 0.0 110.48 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 99' ' ' THR . . . . . 0.425 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.6 m -97.1 -33.61 11.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.618 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.414 ' CD1' HD21 ' A' ' 19' ' ' LEU . 13.5 mt -87.16 -48.95 7.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.852 0.358 . . . . 0.0 110.433 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.12 35.8 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.759 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.2 OUTLIER -98.65 19.05 15.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.654 179.623 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 27.2 t 66.21 -70.92 0.1 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' D' ' 105' ' ' SER . 0.0 OUTLIER -61.74 -30.15 70.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.061 0.458 . . . . 0.0 109.944 179.595 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' D' ' 104' ' ' GLN . 0.6 OUTLIER -70.46 -39.91 73.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.974 179.226 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.93 -33.62 75.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.165 0.507 . . . . 0.0 109.803 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.57 -42.89 73.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.851 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . 0.424 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 17.1 m-20 -70.94 -40.76 71.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.438 HG21 ' HG3' ' D' ' 97' ' ' GLN . 4.9 mt -61.75 -49.21 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.263 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 110' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' D' ' 113' ' ' LEU . 16.1 m -55.98 -36.12 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.061 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -51.33 70.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.229 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.24 -42.61 95.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' D' ' 110' ' ' SER . 3.9 mt -57.43 -49.88 74.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.631 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.99 -42.47 98.46 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.261 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.455 ' O ' ' CG ' ' D' ' 121' ' ' PHE . 3.9 mp -61.88 -41.42 97.85 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.456 ' CG1' HG22 ' D' ' 86' ' ' ILE . 86.3 t -62.21 -53.22 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.407 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.0 OUTLIER -65.93 -19.28 65.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.079 -179.318 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.64 127.83 26.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.731 0.3 . . . . 0.0 110.8 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -56.87 -58.77 6.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.602 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.99 -46.22 82.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.937 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.455 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 8.4 t80 -58.97 -56.07 27.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.68 -31.83 58.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.496 ' HB3' HG12 ' B' ' 127' ' ' ILE . 0.6 OUTLIER -61.26 -51.45 68.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.659 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . 0.456 ' HA ' ' CD1' ' D' ' 127' ' ' ILE . . . -64.08 -49.2 73.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.994 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.457 ' CG ' HD11 ' D' ' 86' ' ' ILE . 39.5 t80 -57.85 -34.67 69.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -41.19 80.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.469 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 7.7 mt -59.16 -49.9 81.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.987 0.423 . . . . 0.0 111.003 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.584 ' O ' ' HB ' ' D' ' 132' ' ' THR . 13.1 t-80 -64.32 -46.19 84.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.093 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . 0.422 ' OD1' ' CE1' ' D' ' 125' ' ' PHE . 1.7 m-80 -55.62 -60.28 3.66 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.04 71.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . 0.441 ' CG2' ' CG2' ' C' ' 57' ' ' ILE . 93.4 mt -58.04 -47.75 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.283 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.584 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -56.92 -45.28 82.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.222 0.534 . . . . 0.0 109.906 179.413 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' D' ' 129' ' ' ASN . 92.5 t -53.71 -50.9 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.379 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -30.86 71.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.24 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 29.5 ttm -55.62 -53.6 54.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -72.21 -30.36 64.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.027 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -82.07 -79.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.93 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.76 -177.23 3.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.9 0.381 . . . . 0.0 111.039 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.896 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.612 0.244 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.69 -30.06 42.36 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.602 2.201 . . . . 0.0 112.433 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.62 86.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.86 -40.31 97.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.01 -45.77 73.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 11.7 tttm -62.55 -48.1 80.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -38.2 84.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 32.3 tp60 -69.25 -38.28 78.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 t -59.24 -49.37 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.023 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.529 ' HB3' ' CE1' ' A' ' 39' ' ' TYR . 9.2 mt -56.96 -51.86 67.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.613 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -64.68 -28.3 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.917 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' D' ' 108' ' ' ASP . 8.3 t -73.38 -36.84 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.994 179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.39 -43.02 95.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.08 -43.57 74.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.724 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -61.2 -54.48 43.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.206 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' CD2' HG13 ' D' ' 109' ' ' ILE . 80.8 mt -54.35 -57.27 11.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.035 0.445 . . . . 0.0 110.963 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -30.15 47.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.062 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.88 -45.82 79.9 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.156 -1.021 . . . . 0.0 111.405 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HB2' HD11 ' D' ' 100' ' ' LEU . 8.1 mmtt -58.72 -38.9 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.603 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 19.7 mt -64.93 -47.27 78.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.276 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -58.49 -27.52 64.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.146 179.2 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -82.93 -35.61 25.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.134 0.493 . . . . 0.0 110.37 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.74 -31.26 46.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.49 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.91 21.07 4.69 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.522 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -113.01 80.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.053 0.454 . . . . 0.0 110.053 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.401 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -89.97 9.08 29.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.224 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 m -85.2 -43.73 13.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.43 ' HG2' ' CD2' ' D' ' 95' ' ' HIS . 3.7 mp0 -75.52 -25.95 57.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.659 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -55.54 -38.28 69.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.659 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -32.9 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.421 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -74.88 -38.97 61.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.335 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.4 mt -67.82 -34.69 77.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.484 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -77.1 -29.84 55.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.046 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.4 -44.22 52.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.643 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.426 ' CD1' HD11 ' A' ' 42' ' ' LEU . 6.5 t80 -73.55 -45.59 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.172 0.51 . . . . 0.0 110.408 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.529 ' CE1' ' HB3' ' A' ' 13' ' ' LEU . 1.1 t80 -57.1 -53.94 52.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.862 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -59.07 -50.14 75.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.502 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.5 m -56.08 -37.31 69.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.056 0.455 . . . . 0.0 110.087 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.513 ' HB3' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -62.9 -32.93 74.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.128 179.098 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HE2' ' CD1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -71.62 -33.83 69.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.653 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.93 135.12 8.36 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.345 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.51 -42.68 2.47 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.616 2.21 . . . . 0.0 112.141 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.424 HD13 HG12 ' C' ' 57' ' ' ILE . 0.2 OUTLIER -58.29 -55.56 33.37 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.159 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.431 ' CZ ' HD23 ' A' ' 51' ' ' LEU . 9.2 t80 -58.86 -39.82 82.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.972 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.21 -42.95 78.02 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.343 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.463 ' O ' HG22 ' A' ' 52' ' ' THR . 4.1 tt0 -61.03 -36.9 80.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.197 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.9 mt -64.62 -41.24 91.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.026 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.431 HD23 ' CZ ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -74.26 -45.17 49.51 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.497 -179.699 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 49' ' ' GLN . 2.8 t -54.24 -41.42 68.73 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.116 0.484 . . . . 0.0 110.008 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -49.72 71.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.759 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -34.61 71.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.285 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -62.82 -40.04 96.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.042 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -42.74 98.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.652 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.417 HG12 ' CD1' ' C' ' 46' ' ' LEU . 2.1 mt -60.38 -36.46 69.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.213 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -60.48 -44.23 96.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.884 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -59.49 -39.5 83.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.119 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.65 -45.48 85.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.507 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -58.47 -48.36 81.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.67 -45.71 95.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.651 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.44 -52.08 55.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 111.013 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.53 -174.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.751 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.928 0.394 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -179.43 -66.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.81 109.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.118 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.434 ' CD1' ' CG2' ' B' ' 132' ' ' THR . 0.4 OUTLIER -91.62 -167.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.623 179.813 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.46 HD23 ' HB2' ' C' ' 38' ' ' PHE . 22.1 tp -142.92 -38.44 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.53 108.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.717 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.53 HG13 HD23 ' B' ' 89' ' ' LEU . 0.8 OUTLIER -52.64 -26.92 11.03 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.701 -179.436 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -64.43 -43.02 95.64 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.554 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . 0.403 ' HB3' ' NZ ' ' C' ' 34' ' ' LYS . 0.9 OUTLIER -80.51 -35.63 34.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.9 178.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.53 HD23 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.01 -31.43 66.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.296 179.475 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.466 ' CB ' ' O ' ' B' ' 86' ' ' ILE . 13.3 t80 -72.85 -50.47 23.8 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.076 0.465 . . . . 0.0 110.196 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -30.95 71.05 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' SER . . . . . 0.427 ' OG ' ' HG3' ' C' ' 34' ' ' LYS . 35.6 m -63.61 -51.17 66.44 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.526 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 89' ' ' LEU . 1.0 OUTLIER -55.42 -38.13 68.56 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.505 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . 0.42 ' HE2' ' CE1' ' B' ' 90' ' ' PHE . 2.4 mptp? -59.13 -40.07 84.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.345 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.434 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.1 t60 -69.1 -51.97 33.16 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.427 HG22 HD11 ' B' ' 109' ' ' ILE . 10.7 mt -51.7 -40.51 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.911 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.452 ' HG3' HG23 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -61.01 -52.21 65.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.078 179.674 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -80.42 -4.68 54.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.999 0.428 . . . . 0.0 110.456 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' THR . . . . . 0.41 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.9 m -96.79 -31.84 12.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.418 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.41 ' CD1' HD21 ' C' ' 19' ' ' LEU . 43.5 mt -92.15 -52.87 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.235 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.65 35.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.756 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -97.84 21.6 10.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 29.3 t 66.32 -71.19 0.09 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -32.41 70.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.218 0.532 . . . . 0.0 110.13 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 0.6 OUTLIER -69.83 -38.79 76.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.544 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -36.87 85.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.094 0.473 . . . . 0.0 110.277 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.89 -40.51 79.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.463 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.432 ' HB3' HG12 ' C' ' 15' ' ' VAL . 13.2 m-20 -70.49 -43.43 69.73 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.452 HG23 ' HG3' ' B' ' 97' ' ' GLN . 5.6 mt -59.38 -49.26 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.504 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -57.05 -34.62 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.907 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.71 -51.4 68.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.895 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.443 ' CD2' HG13 ' C' ' 15' ' ' VAL . 1.7 mt -63.58 -42.61 98.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.449 HD11 HG23 ' B' ' 109' ' ' ILE . 6.2 mt -56.45 -42.39 78.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.662 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -62.49 -52.13 64.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.454 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 2.2 mp -58.83 -50.74 72.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.241 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.452 ' CG1' HG21 ' B' ' 86' ' ' ILE . 58.8 t -55.79 -38.26 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.542 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 52.4 mt-30 -87.71 -8.15 56.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.894 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -63.41 135.28 56.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.707 0.289 . . . . 0.0 110.645 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -56.43 -58.86 6.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.397 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.12 -47.38 86.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.261 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 11.0 t80 -56.35 -56.29 22.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.952 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -54.61 -33.66 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.412 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.7 OUTLIER -61.68 -51.11 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 0.0 110.667 179.706 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.421 ' HA ' ' CD1' ' B' ' 127' ' ' ILE . . . -60.15 -43.19 95.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.782 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.449 ' CZ ' HD21 ' B' ' 84' ' ' LEU . 2.2 t80 -63.12 -38.72 92.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -62.01 -37.82 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.343 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.46 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 11.8 mt -64.03 -49.74 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.689 ' O ' ' HB ' ' B' ' 132' ' ' THR . 27.8 t-80 -67.14 -44.07 80.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.126 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.22 -59.07 5.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.15 -51.91 64.56 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.415 HG13 ' O ' ' B' ' 127' ' ' ILE . 82.3 mt -57.58 -43.52 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.2 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.689 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -59.46 -46.16 89.57 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.249 0.547 . . . . 0.0 109.589 179.057 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.413 ' N ' ' CG2' ' B' ' 132' ' ' THR . 97.8 t -54.84 -46.43 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.257 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . 0.438 ' CE1' ' HG2' ' D' ' 119' ' ' LYS . 3.2 m170 -63.47 -33.58 75.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.935 178.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.4 ttm -58.89 -41.44 87.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.395 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -74.21 -34.27 63.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.739 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -31.0 61.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 60.73 88.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.959 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.597 0.237 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.05 -28.48 57.2 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.495 2.13 . . . . 0.0 112.41 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.38 68.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.057 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.58 92.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.64 -50.05 74.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.817 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.9 ttpt -59.76 -43.71 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.624 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -46.82 89.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.048 0.452 . . . . 0.0 109.914 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.4 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 31.0 tp60 -64.99 -35.99 82.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.535 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 41.0 t -59.24 -56.05 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.685 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' C' ' 9' ' ' LYS . 14.9 mt -54.57 -41.01 69.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.142 0.496 . . . . 0.0 110.178 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -28.28 65.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.818 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.443 HG13 ' CD2' ' B' ' 112' ' ' LEU . 3.9 t -73.74 -40.13 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.959 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.403 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 7.9 mt -64.51 -40.63 96.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.991 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.82 -41.41 75.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -66.6 -53.83 30.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 66.7 mt -54.61 -57.44 11.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 0.0 110.748 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . 0.413 ' HB3' ' CD1' ' C' ' 35' ' ' LEU . 0.5 OUTLIER -54.77 -31.96 59.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.803 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.58 -47.33 85.0 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.829 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -60.79 -34.9 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.6 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 21.2 mt -65.05 -49.92 68.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.95 0.405 . . . . 0.0 110.322 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -27.92 64.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.122 179.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.26 -31.98 29.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.512 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -32.06 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.157 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.06 21.12 4.62 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -117.54 82.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.419 . . . . 0.0 110.102 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.38 9.87 27.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.108 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 52.7 m -78.49 -52.01 9.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.458 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.434 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 3.5 mp0 -73.53 -24.97 60.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.498 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -52.1 -42.07 62.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.521 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.51 -32.91 67.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.288 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.427 ' HG3' ' OG ' ' B' ' 92' ' ' SER . 25.2 mmmt -70.75 -41.84 71.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.315 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' C' ' 35' ' ' LEU . 1.3 mt -66.21 -31.87 72.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.268 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -33.13 56.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.85 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.73 -45.41 58.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.459 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.461 ' CE1' ' CD1' ' C' ' 42' ' ' LEU . 2.5 t80 -68.88 -49.5 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.323 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.465 ' CZ ' ' HD3' ' C' ' 43' ' ' LYS . 38.4 t80 -53.87 -53.72 48.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.415 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 1.9 mt-10 -59.95 -43.96 94.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.782 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 85.1 m -59.91 -41.58 92.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.599 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.461 ' CD1' ' CE1' ' C' ' 38' ' ' PHE . 6.2 mt -61.18 -34.38 74.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.391 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.465 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.4 OUTLIER -72.38 -31.01 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.817 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 1.6 m -47.6 129.3 10.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.265 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 27.4 Cg_exo -60.41 -46.33 18.37 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.294 1.996 . . . . 0.0 111.679 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.417 ' CD1' HG12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -57.64 -53.43 58.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.346 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.463 ' CE1' ' CD2' ' C' ' 51' ' ' LEU . 19.8 t80 -56.92 -45.52 82.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.604 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.71 -34.65 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.99 -39.21 83.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.364 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 3.0 mt -63.53 -44.63 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.074 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.463 ' CD2' ' CE1' ' C' ' 47' ' ' PHE . 0.4 OUTLIER -69.46 -41.84 75.67 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.7 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -53.7 -48.83 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.014 0.435 . . . . 0.0 110.431 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.12 -51.69 68.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.198 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -30.84 70.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.42 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -39.54 94.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.019 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 30.4 t -65.77 -43.35 89.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.829 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.424 HG12 HD13 ' A' ' 46' ' ' LEU . 3.3 mt -60.35 -43.03 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.393 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -39.5 83.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.184 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -61.09 -40.68 94.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.271 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -48.72 78.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.489 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -55.59 -59.58 4.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.06 -53.27 45.86 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.727 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -58.9 -37.04 75.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.765 0.316 . . . . 0.0 111.051 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 46.2 mt -83.36 131.35 35.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.734 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.941 0.401 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 29.8 m -135.33 -7.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.192 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.7 101.78 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.817 0.341 . . . . 0.0 111.269 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.441 ' O ' ' HB3' ' D' ' 84' ' ' LEU . 1.1 mm -84.79 -33.47 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' D' ' 83' ' ' ILE . 16.5 tp 70.25 -52.73 0.64 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.119 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.46 113.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 1.1 mt -53.65 -25.06 10.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.54 -45.9 85.15 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.285 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -78.57 -35.07 46.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.792 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.479 HD23 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.27 -30.81 65.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.468 179.553 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 12.1 t80 -72.46 -48.21 42.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 0.0 109.848 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -30.1 70.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.612 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 92' ' ' SER . . . . . 0.409 ' O ' ' CD1' ' D' ' 96' ' ' ILE . 0.3 OUTLIER -63.72 -53.47 50.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.408 179.373 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.689 ' HA ' HD11 ' D' ' 96' ' ' ILE . 0.6 OUTLIER -56.4 -35.89 68.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -58.93 -44.98 91.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.667 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . 0.43 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 2.2 t60 -66.68 -55.63 14.27 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.689 HD11 ' HA ' ' D' ' 93' ' ' LEU . 4.3 mt -50.67 -33.5 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.956 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' D' ' 93' ' ' LEU . 0.0 OUTLIER -65.32 -47.37 76.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.832 179.658 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -21.06 45.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.041 0.448 . . . . 0.0 110.478 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.4 m -84.67 -33.97 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.175 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.485 ' HB3' ' CB ' ' D' ' 105' ' ' SER . 48.9 mt -104.37 85.04 2.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.68 0.752 . . . . 0.0 109.238 178.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.1 36.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.409 -1.268 . . . . 0.0 111.16 -178.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.15 12.42 20.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.922 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 7.5 t 72.4 -68.29 0.23 Allowed 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.328 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' D' ' 107' ' ' GLU . 59.6 tp60 -60.93 -31.3 70.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.193 0.52 . . . . 0.0 110.072 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' D' ' 100' ' ' LEU . 16.4 m -73.32 -47.64 40.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.468 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . 0.496 ' HA ' HD13 ' D' ' 109' ' ' ILE . 5.7 pt20 -65.75 -30.74 71.45 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.715 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' D' ' 104' ' ' GLN . 4.1 pt-20 -72.87 -36.82 67.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . 0.426 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 15.9 m-20 -70.73 -40.99 72.43 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' D' ' 106' ' ' GLN . 5.9 mt -61.13 -49.44 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 114.942 -1.027 . . . . 0.0 109.652 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 110' ' ' SER . . . . . 0.407 ' HA ' ' CD1' ' D' ' 113' ' ' LEU . 1.2 m -54.55 -38.14 66.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.258 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . 0.406 ' HA ' ' HG2' ' D' ' 114' ' ' GLN . 6.4 tt -59.83 -44.75 93.89 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.826 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . 0.402 ' CD1' HD13 ' A' ' 19' ' ' LEU . 3.1 mt -63.8 -41.39 97.91 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' D' ' 93' ' ' LEU . 2.8 mt -60.0 -42.75 94.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.439 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . 0.537 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -61.8 -36.76 82.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.895 179.512 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.537 ' N ' ' HG3' ' D' ' 114' ' ' GLN . 5.1 mp -70.73 -47.46 59.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.453 0.644 . . . . 0.0 109.837 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.458 ' CG1' HG22 ' D' ' 86' ' ' ILE . 58.8 t -62.08 -37.4 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.573 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.452 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 52.1 mt-30 -84.59 -17.93 37.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.391 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.43 143.54 19.02 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.813 0.339 . . . . 0.0 110.528 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . 0.438 ' HG2' ' CE1' ' B' ' 134' ' ' HIS . 0.0 OUTLIER -67.52 -58.45 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.301 -179.508 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.29 -50.01 74.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.722 0.296 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 10.8 t80 -55.82 -51.65 66.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -51.94 -35.89 47.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.672 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.46 ' O ' HG13 ' D' ' 127' ' ' ILE . 21.3 m-20 -68.25 -50.27 55.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . 0.415 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.89 -49.45 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.043 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.459 ' CD1' HD13 ' D' ' 86' ' ' ILE . 15.3 t80 -63.45 -34.53 77.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -37.1 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.46 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 11.9 mt -64.73 -49.99 77.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.105 0.478 . . . . 0.0 110.519 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.758 ' O ' ' HB ' ' D' ' 132' ' ' THR . 42.0 t-80 -65.4 -41.39 93.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.837 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . 0.435 ' ND2' ' CG2' ' D' ' 83' ' ' ILE . 12.2 t-20 -55.26 -60.43 3.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.016 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.21 62.65 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . 0.427 HG13 ' O ' ' D' ' 127' ' ' ILE . 60.4 mt -57.81 -39.68 72.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.154 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.758 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -61.81 -45.24 94.72 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.411 ' N ' ' CG2' ' D' ' 132' ' ' THR . 98.6 t -54.44 -49.21 66.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.533 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -33.12 74.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.925 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -45.04 96.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.434 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -65.25 -38.44 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.619 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.16 -73.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.801 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 58.5 96.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.065 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.911 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.568 0.223 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.96 -27.32 35.12 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.605 2.203 . . . . 0.0 112.27 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.53 -30.41 70.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.38 -41.27 84.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -68.07 -56.59 8.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.748 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.7 -41.13 73.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.2 tpp -61.6 -47.69 84.31 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 15' ' ' VAL . 26.4 tp60 -61.93 -37.69 85.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.475 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 71.1 t -57.23 -50.31 77.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.341 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 9' ' ' LYS . 11.9 mt -53.11 -50.82 63.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.35 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -65.66 -28.04 68.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.863 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' D' ' 112' ' ' LEU . 5.1 t -72.46 -36.19 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.044 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 12' ' ' VAL . 45.6 mt -64.05 -44.85 91.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.317 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.35 -38.51 74.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -54.68 32.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.914 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.467 HD23 HD11 ' D' ' 100' ' ' LEU . 75.3 mt -54.9 -55.38 31.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.049 0.452 . . . . 0.0 110.031 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' CA ' HD13 ' A' ' 35' ' ' LEU . 5.6 tmm_? -50.27 -42.45 52.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.038 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.09 -46.25 85.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.563 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 8.1 mmmt -63.0 -31.82 73.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 111.016 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 26.0 mt -71.95 -50.08 32.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.998 0.428 . . . . 0.0 110.791 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -26.49 66.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.224 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -82.92 -39.88 20.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.27 0.557 . . . . 0.0 109.973 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 1.6 mptt -70.87 -30.72 67.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.192 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.22 23.56 4.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -120.41 81.52 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.0 0.428 . . . . 0.0 110.151 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.2 10.18 30.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.399 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -80.78 -48.89 11.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.039 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.449 ' HG3' ' CD2' ' D' ' 95' ' ' HIS . 2.0 mm-40 -67.22 -24.82 65.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.894 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -44.68 -50.2 10.02 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.927 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -34.6 67.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.528 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -68.05 -39.77 82.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.235 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 1.9 mt -70.9 -41.25 71.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.049 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.6 p -69.87 -36.15 75.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.462 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' D' ' 84' ' ' LEU . . . -61.61 -45.99 91.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.517 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.462 ' HB2' ' CD2' ' D' ' 84' ' ' LEU . 4.4 t80 -70.66 -38.01 73.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.015 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.556 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 1.6 t80 -53.38 -53.43 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.125 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -52.28 56.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.418 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.6 m -56.95 -33.4 66.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.0 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.457 ' CD1' ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -67.44 -41.67 84.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.864 0.364 . . . . 0.0 110.41 179.507 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.444 ' HE3' ' CD1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -71.33 -24.16 62.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 t -45.73 119.0 4.46 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.349 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.42 -51.81 7.68 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.399 2.066 . . . . 0.0 111.796 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.435 ' CD1' ' CG1' ' C' ' 57' ' ' ILE . 0.8 OUTLIER -57.95 -46.11 85.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.179 179.63 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -57.86 -46.15 85.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.347 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -56.0 -36.11 67.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.241 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -64.38 -41.06 96.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.191 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.3 mt -59.76 -43.01 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.12 -39.67 78.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.292 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.1 m -55.09 -45.7 75.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.323 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -49.89 73.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.051 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.86 -32.21 69.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.441 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -65.64 -41.33 92.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.314 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -61.18 -44.03 97.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.075 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.405 ' CD1' HD13 ' C' ' 46' ' ' LEU . 16.8 mt -61.42 -35.13 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.047 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -42.48 98.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.883 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -39.03 90.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.98 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -42.04 84.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.374 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -61.12 -56.41 21.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.801 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.26 -26.58 67.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.569 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -85.9 -30.36 22.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.56 85.01 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.968 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.777 0.322 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -169.87 47.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.079 0.466 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.63 144.73 25.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.052 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.42 ' CD1' ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -94.06 -172.43 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.337 0.589 . . . . 0.0 111.259 -179.711 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.469 ' O ' ' HG ' ' B' ' 84' ' ' LEU . 3.9 tp -172.31 52.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.241 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 84' ' ' LEU . 2.6 mm-40 -36.17 121.52 0.69 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.708 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' B' ' 90' ' ' PHE . 0.7 OUTLIER -49.28 -24.59 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.781 -178.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.38 -45.89 91.13 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -36.52 51.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.998 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.471 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.17 -28.75 63.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.491 179.697 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' B' ' 86' ' ' ILE . 12.0 t80 -72.53 -48.81 37.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.8 m -62.61 -29.36 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.456 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' B' ' 96' ' ' ILE . 74.6 m -63.4 -53.25 55.39 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.391 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.676 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.6 OUTLIER -57.03 -35.67 69.57 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.168 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . 0.474 ' HA ' ' HG2' ' B' ' 97' ' ' GLN . 31.8 mmtt -59.84 -38.8 83.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.608 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -72.36 -54.1 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' B' ' 93' ' ' LEU . 3.7 mt -53.33 -35.03 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.76 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.474 ' HG2' ' HA ' ' B' ' 94' ' ' LYS . 2.2 pt20 -70.69 -38.11 73.66 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.327 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.6 OUTLIER -82.39 -20.44 37.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.212 179.013 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -85.74 -40.03 16.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.893 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.43 ' HB3' ' CB ' ' B' ' 105' ' ' SER . 54.4 mt -96.97 85.82 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.47 35.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.464 -178.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.61 15.51 12.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.002 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.99 -67.47 0.21 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.786 0.326 . . . . 0.0 111.19 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -35.29 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.43 ' CB ' ' HB3' ' B' ' 100' ' ' LEU . 0.5 OUTLIER -67.94 -39.67 83.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.981 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.02 -35.48 80.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.976 0.417 . . . . 0.0 110.365 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -41.56 77.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.709 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.42 ' HB3' HG12 ' C' ' 15' ' ' VAL . 38.4 m-20 -70.24 -42.87 71.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.458 ' CG2' ' HB3' ' B' ' 97' ' ' GLN . 5.7 mt -59.34 -49.39 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.404 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 7.4 m -55.49 -35.92 66.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.879 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.401 ' CD2' HG21 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.39 -51.31 68.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.811 178.839 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.42 ' CD2' HG13 ' C' ' 15' ' ' VAL . 3.1 mt -62.47 -41.72 98.97 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.395 178.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 5.4 mt -58.16 -39.58 79.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.564 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.26 -51.89 67.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.008 0.433 . . . . 0.0 110.287 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.0 OUTLIER -61.37 -49.28 77.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.937 179.192 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.429 HG11 ' CG2' ' B' ' 86' ' ' ILE . 57.5 t -58.97 -34.92 54.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.457 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 44.1 mt-30 -89.27 -9.66 49.82 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.91 151.24 22.19 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.758 0.313 . . . . 0.0 110.677 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -58.83 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.343 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -44.91 94.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.786 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.452 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 9.2 t80 -55.93 -53.46 56.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.558 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -53.02 -42.31 65.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.42 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.6 OUTLIER -60.16 -51.19 70.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.953 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.429 ' HA ' ' CD1' ' B' ' 127' ' ' ILE . . . -57.58 -49.06 77.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.078 0.466 . . . . 0.0 110.937 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.455 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 4.8 t80 -59.3 -36.8 76.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.26 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -65.01 -39.28 93.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.661 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.47 HG12 ' HB3' ' D' ' 123' ' ' ASN . 11.4 mt -60.33 -49.65 83.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 CA-C-O 121.149 0.5 . . . . 0.0 110.348 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.748 ' O ' ' HB ' ' B' ' 132' ' ' THR . 24.0 t-80 -60.24 -42.82 96.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.046 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.403 ' OD1' ' CE1' ' B' ' 125' ' ' PHE . 74.4 m-20 -54.99 -60.77 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.87 -51.65 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.405 ' CG2' ' CG2' ' A' ' 57' ' ' ILE . 53.2 mt -59.12 -38.6 75.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.396 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.748 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -65.64 -47.39 75.72 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.294 0.568 . . . . 0.0 109.542 178.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.422 ' N ' ' CG2' ' B' ' 132' ' ' THR . 99.0 t -52.93 -51.1 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.459 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -63.36 -30.89 71.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.048 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 29.7 ttm -54.62 -60.03 3.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.985 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -70.66 -30.75 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -76.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.44 -169.94 0.46 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 64.4 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.926 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 61.8 t30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.589 0.233 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.98 -28.33 66.42 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.535 2.156 . . . . 0.0 112.314 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.9 67.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.19 -32.14 69.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.85 -58.23 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -42.3 78.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.633 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -44.09 97.66 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.402 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 30.8 tp60 -67.87 -32.07 72.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.638 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.401 HG21 ' CD2' ' B' ' 111' ' ' LEU . 55.4 t -61.53 -56.06 20.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.589 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.449 ' HB3' ' CE2' ' C' ' 39' ' ' TYR . 18.5 mt -55.86 -42.48 75.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.137 0.494 . . . . 0.0 109.895 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -28.5 67.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.433 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.42 HG12 ' HB3' ' B' ' 108' ' ' ASP . 2.0 t -74.11 -37.88 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.93 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 11.2 mt -64.3 -40.52 96.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.761 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -41.45 77.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.532 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -54.28 27.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.458 ' CD2' HG13 ' B' ' 109' ' ' ILE . 68.6 mt -52.56 -57.06 11.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 0.0 110.37 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . 0.435 ' HG2' ' HA ' ' C' ' 32' ' ' ASN . 5.4 tmm_? -50.9 -39.22 53.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.019 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.95 -45.38 95.21 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.98 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' C' ' 26' ' ' LYS . 1.9 mtpp -63.69 -32.56 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.658 0.266 . . . . 0.0 110.803 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 52.2 mt -67.57 -50.51 58.06 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.903 0.382 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -32.65 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.03 -28.34 29.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.311 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . 0.412 ' HB2' ' HA ' ' C' ' 23' ' ' LEU . 8.6 mttm -78.47 -32.55 48.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.151 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.26 14.85 8.73 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.486 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.93 84.92 2.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 110.048 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.87 27.26 3.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.005 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.1 m -102.1 -47.4 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.426 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -72.78 -23.3 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.531 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . 0.435 ' HA ' ' HG2' ' C' ' 20' ' ' ARG . 24.0 p-10 -48.58 -45.04 37.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -56.59 -32.24 65.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.126 0.488 . . . . 0.0 110.136 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.401 ' HA ' ' CD1' ' B' ' 84' ' ' LEU . 1.1 mmmm -73.31 -38.6 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.306 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.11 -32.04 69.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -77.06 -32.54 56.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.002 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.94 -44.66 30.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.521 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.449 ' CD1' HD23 ' B' ' 89' ' ' LEU . 2.5 t80 -67.04 -39.71 87.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.274 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' C' ' 13' ' ' LEU . 42.1 t80 -64.37 -53.16 52.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.192 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.86 -49.83 76.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.116 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' THR . . . . . 0.461 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 90.9 m -56.21 -42.74 77.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.835 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 7.1 mt -61.56 -33.97 74.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.15 0.5 . . . . 0.0 110.291 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.446 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 15.5 mtpt -79.29 -34.38 42.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.561 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -45.19 140.57 3.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.449 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.66 -43.51 1.32 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.609 2.206 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.405 HD13 ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.91 -52.8 64.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.357 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.461 ' CD2' ' CG2' ' C' ' 41' ' ' THR . 23.7 t80 -58.26 -44.94 88.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.365 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -56.43 -39.43 73.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -44.66 95.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 25.6 mt -56.78 -44.75 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.806 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.457 ' CD2' ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -67.66 -34.31 76.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.276 179.49 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.9 m -53.89 -50.26 66.74 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.908 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -46.15 91.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.646 178.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -32.73 69.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.884 178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -66.52 -36.88 83.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.887 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 39.9 t -60.61 -47.59 85.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.816 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.435 ' CG1' ' CD1' ' A' ' 46' ' ' LEU . 60.2 mt -60.17 -38.38 76.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.983 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -58.46 -37.51 75.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.014 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -40.55 90.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.092 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt -53.97 -49.73 68.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.673 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -60.33 -49.23 78.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.18 -42.28 98.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.53 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -62.98 -58.59 6.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.823 0.344 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.14 175.08 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.786 0.327 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 15.8 m 41.89 63.18 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.819 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 125.96 30.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.707 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.503 ' CD1' ' CG2' ' D' ' 133' ' ' VAL . 0.2 OUTLIER -88.74 -165.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.906 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.466 HD22 ' CZ ' ' D' ' 125' ' ' PHE . 48.6 tp -146.79 -45.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.878 0.371 . . . . 0.0 111.579 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.56 96.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -178.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.518 HG13 HD23 ' D' ' 89' ' ' LEU . 0.9 OUTLIER -49.63 -24.97 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.852 -178.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.29 -41.21 94.36 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.023 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -81.14 -36.12 30.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.797 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.518 HD23 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -71.98 -31.34 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.394 179.337 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.475 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 15.6 t80 -72.36 -49.93 30.43 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.128 0.489 . . . . 0.0 109.806 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 30.1 t -61.75 -29.31 70.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.369 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 92' ' ' SER . . . . . 0.404 ' HA ' ' OE1' ' A' ' 31' ' ' GLN . 32.0 t -63.06 -52.58 62.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.348 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.7 OUTLIER -56.99 -35.46 69.21 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.497 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -43.24 92.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.748 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . 0.449 ' CD2' ' HG3' ' A' ' 31' ' ' GLN . 1.8 t60 -68.04 -54.23 19.88 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' D' ' 93' ' ' LEU . 7.2 mt -50.72 -36.66 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.894 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . 0.469 ' HG3' HG23 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.85 -53.23 57.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.059 179.638 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -80.89 -2.34 47.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.538 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.5 m -99.06 -33.45 10.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.662 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.467 HD11 HD23 ' A' ' 19' ' ' LEU . 27.1 mt -89.1 -56.16 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.653 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 43.11 38.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.526 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.15 19.62 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.935 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.54 -71.09 0.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.73 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -34.85 74.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.222 0.534 . . . . 0.0 109.907 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 105' ' ' SER . . . . . . . . . . . . . 59.0 m -67.87 -38.24 82.84 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.324 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -38.62 89.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.063 0.459 . . . . 0.0 110.298 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.07 -40.58 87.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.703 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . 0.408 ' HB3' HG13 ' A' ' 15' ' ' VAL . 14.4 m-20 -70.41 -43.59 69.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.469 HG23 ' HG3' ' D' ' 97' ' ' GLN . 3.9 mt -58.55 -49.25 83.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.48 178.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 110' ' ' SER . . . . . 0.422 ' HA ' HD13 ' D' ' 113' ' ' LEU . 63.8 m -58.01 -34.65 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.101 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -51.17 70.07 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.913 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . 0.414 ' CD2' HG11 ' A' ' 15' ' ' VAL . 1.0 OUTLIER -64.41 -40.65 96.21 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.441 HD13 HG23 ' D' ' 109' ' ' ILE . 8.1 mt -58.73 -41.39 86.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.619 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . 0.412 ' HG2' ' CD1' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -65.97 -52.08 52.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.312 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.463 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 3.5 mp -56.3 -49.04 75.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.27 0.557 . . . . 0.0 109.947 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.459 ' CG1' HG22 ' D' ' 86' ' ' ILE . 87.8 t -57.82 -48.61 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.634 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 52.5 mt-30 -76.18 -8.73 57.68 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.5 135.51 57.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.72 0.295 . . . . 0.0 110.421 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -58.88 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.76 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.19 -50.03 74.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.522 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.9 t80 -55.79 -56.19 23.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.793 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -34.74 63.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.47 ' HB3' HG12 ' B' ' 127' ' ' ILE . 1.1 m120 -63.21 -51.56 65.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.005 0.431 . . . . 0.0 110.795 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . 0.414 ' HA ' ' CD1' ' D' ' 127' ' ' ILE . . . -57.0 -39.49 74.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.977 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.466 ' CG ' ' CD1' ' D' ' 86' ' ' ILE . 1.7 t80 -63.79 -39.68 94.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.768 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -62.62 -35.88 81.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.412 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.455 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 20.9 mt -64.7 -49.34 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.803 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.752 ' O ' ' HB ' ' D' ' 132' ' ' THR . 6.3 t-80 -67.07 -31.45 71.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.285 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -66.09 -61.24 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.83 60.0 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . 0.432 HD12 HG21 ' D' ' 131' ' ' ILE . 52.9 mt -53.99 -43.22 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.27 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.752 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.3 OUTLIER -59.33 -46.66 88.0 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.285 0.564 . . . . 0.0 109.563 178.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.503 ' CG2' ' CD1' ' D' ' 83' ' ' ILE . 47.4 t -56.08 -44.73 79.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.693 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -32.54 73.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.135 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 11.5 ttm -62.77 -42.16 99.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.599 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -80.13 -35.65 36.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.768 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.73 -54.17 46.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.84 87.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.887 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.502 0.191 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.24 -26.46 72.11 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.513 2.142 . . . . 0.0 112.454 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.22 -33.11 50.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.32 -37.75 75.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.08 -55.11 28.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -60.76 -45.18 95.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.631 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -42.06 97.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.966 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -68.56 -35.38 77.34 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.83 -52.22 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.394 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.46 ' HB3' ' CE1' ' A' ' 39' ' ' TYR . 8.4 mt -55.4 -42.82 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.151 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -28.33 66.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.758 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 t -73.79 -38.52 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.988 179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 15.7 mt -64.11 -42.01 97.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -43.25 74.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -65.13 -54.25 32.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.04 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.476 ' CD1' HG13 ' D' ' 109' ' ' ILE . 41.3 mt -51.89 -55.8 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.781 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -40.57 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.82 -42.34 96.51 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.745 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.8 mmtp -61.94 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.558 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.87 -50.58 70.35 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -55.83 -33.07 64.13 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.31 -27.41 29.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.495 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . 1.2 mmtp -80.89 -30.22 35.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.242 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.17 22.79 6.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.108 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.7 83.21 2.0 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.991 0.425 . . . . 0.0 109.887 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.04 36.0 1.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.253 0.549 . . . . 0.0 109.914 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -109.93 -44.22 3.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.724 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -70.67 -23.05 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.37 -45.83 18.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.36 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -57.02 -32.7 66.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.921 0.391 . . . . 0.0 110.362 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.46 ' O ' HD12 ' D' ' 84' ' ' LEU . 21.9 mmmt -72.16 -39.44 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 109.911 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 2.6 mt -70.41 -29.6 66.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.602 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -74.28 -34.85 63.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.968 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' D' ' 84' ' ' LEU . . . -74.5 -48.79 25.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.713 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.417 ' CD2' HD11 ' A' ' 42' ' ' LEU . 14.2 t80 -62.31 -50.98 69.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.338 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.485 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -56.53 -54.31 47.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.743 179.753 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.87 -49.77 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.46 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 52.7 m -58.28 -38.02 76.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.728 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.417 HD11 ' CD2' ' A' ' 38' ' ' PHE . 8.4 mt -64.06 -32.67 74.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -76.41 -32.02 58.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.93 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 t -51.5 137.42 31.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.328 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.72 -37.46 2.23 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.51 2.14 . . . . 0.0 112.172 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.432 ' CD1' HG12 ' C' ' 57' ' ' ILE . 0.2 OUTLIER -60.35 -53.86 52.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.147 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CD2' ' CG2' ' A' ' 41' ' ' THR . 10.3 t80 -58.84 -45.02 91.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.387 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -57.72 -36.06 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.324 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.51 -41.79 98.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.19 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.9 mt -59.05 -49.04 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.738 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -37.53 87.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.37 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.4 m -53.69 -50.0 66.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.936 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -41.98 88.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.534 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -60.4 -39.13 86.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.222 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -59.73 -39.82 85.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.127 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 t -61.03 -45.13 96.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.773 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.403 ' CD1' ' CD1' ' C' ' 46' ' ' LEU . 3.0 mt -60.08 -36.38 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.323 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -61.07 -41.18 96.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.929 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -62.12 -39.17 91.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.207 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -57.61 -48.02 80.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.685 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -64.72 -33.0 74.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.92 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.2 -27.43 44.6 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.607 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.82 -53.29 5.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.62 126.85 29.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.048 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.786 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 121.003 0.43 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -179.49 -73.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 134.58 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.07 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.431 ' CD1' HG23 ' B' ' 132' ' ' THR . 0.4 OUTLIER -92.2 -165.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.463 HD21 ' CZ ' ' B' ' 125' ' ' PHE . 28.9 tp -163.6 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.27 104.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.49 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.515 HG13 HD21 ' B' ' 89' ' ' LEU . 0.8 OUTLIER -49.61 -26.34 2.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.766 -179.346 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.27 -46.11 88.34 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.308 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.81 -35.29 51.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.483 . . . . 0.0 109.967 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.515 HD21 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -71.53 -30.38 65.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.471 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 11.0 t80 -72.6 -50.34 26.07 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.225 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 11.5 m -62.41 -29.34 70.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.527 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' SER . . . . . 0.406 ' HA ' ' OE1' ' C' ' 31' ' ' GLN . 56.3 m -64.07 -52.16 60.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.625 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 89' ' ' LEU . 0.7 OUTLIER -57.08 -36.18 70.26 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.521 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -59.21 -42.1 90.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.767 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.407 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.4 t60 -69.01 -53.35 20.97 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' B' ' 93' ' ' LEU . 8.3 mt -51.02 -38.08 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.902 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.487 ' HG3' HG22 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -61.82 -53.81 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.095 179.675 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.71 -4.89 53.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.409 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.8 m -95.5 -33.3 12.49 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.457 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.408 ' CD1' HD23 ' C' ' 19' ' ' LEU . 18.2 mt -89.31 -54.32 4.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.252 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.26 36.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.672 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' B' ' 105' ' ' SER . 0.5 OUTLIER -98.59 23.92 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.567 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.46 -72.87 0.07 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.75 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -59.87 -29.53 68.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.201 0.524 . . . . 0.0 109.936 179.18 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.432 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 0.4 OUTLIER -70.38 -42.32 71.89 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.375 179.305 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -35.0 76.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.049 0.452 . . . . 0.0 110.315 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.97 -41.41 74.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.741 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.425 ' HB3' HG12 ' C' ' 15' ' ' VAL . 43.0 m-20 -70.8 -43.0 69.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.644 0.735 . . . . 0.0 109.053 179.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.487 HG22 ' HG3' ' B' ' 97' ' ' GLN . 4.2 mt -60.33 -49.34 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.41 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' SER . . . . . 0.428 ' HA ' HD13 ' B' ' 113' ' ' LEU . 8.4 t -57.67 -33.72 68.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.934 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -51.55 68.74 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.821 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.415 ' CD2' HG13 ' C' ' 15' ' ' VAL . 1.9 mt -63.48 -43.72 96.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.335 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.455 HD13 HG22 ' B' ' 109' ' ' ILE . 6.3 mt -55.17 -41.88 72.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.787 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -61.75 -51.99 66.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.755 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.434 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.3 mp -60.25 -49.07 79.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.256 0.551 . . . . 0.0 110.264 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.447 ' CG1' HG22 ' B' ' 86' ' ' ILE . 48.2 t -57.36 -34.22 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.577 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.439 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 54.7 mt-30 -90.29 -10.86 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.75 141.7 52.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 110.528 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -58.76 5.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.274 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.94 -45.35 95.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.71 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 12.3 t80 -55.94 -56.02 25.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.757 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.94 -37.15 60.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.803 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.414 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.6 OUTLIER -62.78 -51.4 67.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.8 -46.68 88.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.784 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.469 ' HA ' ' CE1' ' C' ' 47' ' ' PHE . 4.4 t80 -60.77 -35.55 76.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -38.58 89.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.66 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.473 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 12.3 mt -63.41 -49.79 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.832 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.627 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.2 t-80 -66.59 -32.49 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.051 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -63.15 -60.68 3.1 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.39 -51.66 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 55.4 mt -53.31 -38.07 30.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.759 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.627 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.8 OUTLIER -63.09 -53.19 57.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.451 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.424 ' N ' HG23 ' B' ' 132' ' ' THR . 24.9 t -53.28 -49.98 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -30.97 72.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.265 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 28.4 ttm -58.63 -50.82 72.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.776 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -75.75 -36.93 59.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -65.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -96.0 98.64 10.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 34.5 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.906 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.486 0.184 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.44 -53.02 3.21 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.402 2.068 . . . . 0.0 112.131 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.02 -32.39 61.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.306 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.33 -37.15 77.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.0 -53.97 21.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.0 OUTLIER -51.92 -40.98 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.3 tpt -61.59 -53.17 59.9 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -60.06 -31.56 70.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.771 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.44 -47.67 90.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.81 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.426 ' HB3' ' CE2' ' C' ' 39' ' ' TYR . 13.5 mt -58.38 -46.12 86.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.048 0.452 . . . . 0.0 110.007 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -27.86 68.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.665 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.425 HG12 ' HB3' ' B' ' 108' ' ' ASP . 4.8 t -73.01 -40.64 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.206 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 7.3 mt -64.06 -39.14 93.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.835 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.86 -39.15 69.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.675 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -66.61 -54.42 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.804 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 79.9 mt -53.63 -57.29 11.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.39 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.61 -37.65 41.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.816 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.41 -49.43 76.56 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.755 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -62.13 -34.21 75.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 0.0 110.601 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 33.6 mt -66.45 -50.46 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.501 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -26.77 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.123 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.29 -31.21 30.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.713 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.17 -34.99 32.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.355 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.24 15.92 5.87 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.634 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -111.17 81.74 1.49 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.93 0.395 . . . . 0.0 109.97 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.54 11.42 24.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.142 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 50.8 m -75.65 -39.52 57.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.409 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.407 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 0.9 OUTLIER -84.62 -18.52 35.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.555 179.458 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.77 -52.9 13.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.018 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.71 -35.11 68.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.438 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . 0.419 ' HE3' HD13 ' B' ' 84' ' ' LEU . 23.7 mmmt -64.46 -41.55 96.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.185 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' C' ' 35' ' ' LEU . 1.8 mt -70.22 -31.73 69.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.692 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -33.96 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.802 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.62 -43.52 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.39 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.445 ' CE1' ' CD1' ' C' ' 42' ' ' LEU . 2.4 t80 -70.71 -49.88 42.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.412 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.469 ' CZ ' ' HD3' ' C' ' 43' ' ' LYS . 28.9 t80 -57.49 -53.73 54.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.245 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -58.92 -49.22 78.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' THR . . . . . 0.428 HG22 ' CE1' ' B' ' 128' ' ' HIS . 93.7 m -57.77 -39.22 76.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.612 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.445 ' CD1' ' CE1' ' C' ' 38' ' ' PHE . 3.5 mt -61.72 -33.54 74.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.292 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.469 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -73.09 -32.38 64.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.911 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -47.04 130.89 9.09 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.372 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.11 -33.61 31.01 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.412 2.074 . . . . 0.0 111.979 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.403 ' CD1' ' CD1' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -63.94 -55.26 23.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.213 179.603 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.469 ' CE1' ' HA ' ' B' ' 125' ' ' PHE . 9.7 t80 -58.02 -42.85 86.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.32 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -56.15 -37.89 70.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.451 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -64.47 -42.01 96.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.226 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 7.0 mt -58.22 -44.77 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.881 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.43 HD22 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -67.94 -35.44 78.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.19 179.678 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 40.1 m -53.86 -49.73 67.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.003 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -46.51 90.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.661 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -32.14 70.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.18 179.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -64.88 -39.67 93.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.035 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 4.9 m -61.72 -43.85 98.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.671 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.432 HG12 ' CD1' ' A' ' 46' ' ' LEU . 5.3 mt -59.69 -39.62 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.938 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . 0.416 ' HA ' ' CG ' ' C' ' 61' ' ' LYS . 0.0 OUTLIER -62.6 -32.56 73.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.487 178.528 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' C' ' 63' ' ' GLN . 0.0 OUTLIER -61.89 -43.23 99.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.688 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.11 -65.01 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.917 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . 0.416 ' CG ' ' HA ' ' C' ' 58' ' ' LYS . 0.0 OUTLIER -53.84 -23.53 12.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.209 179.589 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.47 1.65 53.46 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.835 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' C' ' 59' ' ' GLN . 9.8 mt-30 -119.19 -5.64 10.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.939 0.37 . . . . 0.0 111.776 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.98 -46.57 0.44 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.71 0.291 . . . . 0.0 111.349 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.628 -179.329 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.78 0.324 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -170.87 41.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.003 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -94.06 103.45 15.51 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.386 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.449 HG21 ' HA ' ' D' ' 129' ' ' ASN . 0.1 OUTLIER -93.96 -165.58 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.435 179.748 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 34' ' ' LYS . 2.2 pt? -162.51 -4.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.2 OUTLIER 60.52 141.7 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.96 0.41 . . . . 0.0 110.82 179.671 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.581 ' HA ' ' CD2' ' D' ' 89' ' ' LEU . 0.9 OUTLIER -70.36 -32.18 49.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.429 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.05 -42.16 99.65 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.581 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -75.78 -44.26 42.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.704 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.581 ' CD2' ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -72.68 -28.5 62.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.974 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' D' ' 86' ' ' ILE . 38.0 t80 -70.48 -41.29 72.91 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.8 -31.77 72.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.201 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -52.03 58.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.36 179.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.649 ' HA ' HD11 ' D' ' 96' ' ' ILE . 0.6 OUTLIER -56.61 -35.97 68.89 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.445 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -59.21 -45.75 90.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.641 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.14 -55.86 14.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.649 HD11 ' HA ' ' D' ' 93' ' ' LEU . 4.7 mt -50.92 -33.92 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.082 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' D' ' 93' ' ' LEU . 0.0 OUTLIER -64.71 -51.14 64.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.95 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -75.93 -21.98 56.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.063 0.459 . . . . 0.0 110.388 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.13 -34.07 26.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.026 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.484 ' HB3' ' CB ' ' D' ' 105' ' ' SER . 92.9 mt -106.37 81.08 1.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.04 36.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.116 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.34 11.43 14.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.879 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 103' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' D' ' 106' ' ' GLN . 0.2 OUTLIER 75.97 -67.52 0.23 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.176 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -31.44 71.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.145 0.498 . . . . 0.0 110.045 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.484 ' CB ' ' HB3' ' D' ' 100' ' ' LEU . 2.8 m -72.17 -44.95 62.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.968 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . 0.516 ' HA ' HD12 ' D' ' 109' ' ' ILE . 3.0 pt20 -63.52 -30.1 71.27 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.622 0.249 . . . . 0.0 110.585 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -39.25 64.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.975 0.417 . . . . 0.0 110.093 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -70.3 -41.88 72.76 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' D' ' 106' ' ' GLN . 4.1 mt -59.96 -49.55 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.372 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 110' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' D' ' 113' ' ' LEU . 2.3 t -54.89 -36.78 65.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.745 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.23 -50.89 69.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.981 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . 0.407 ' CD1' HD13 ' A' ' 19' ' ' LEU . 3.6 mt -61.41 -44.51 97.01 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.193 0.521 . . . . 0.0 109.659 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' D' ' 117' ' ' GLN . 2.8 mt -55.66 -43.13 76.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.598 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -61.51 -49.35 77.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.44 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.458 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 2.2 mp -60.69 -47.72 84.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.322 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.487 HG12 ' CG2' ' D' ' 86' ' ' ILE . 41.3 t -63.02 -38.67 82.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.488 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 25.4 mt-30 -81.07 -12.59 59.27 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.59 133.48 53.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.75 0.309 . . . . 0.0 110.749 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -58.79 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.462 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -50.25 74.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.5 t80 -56.96 -39.86 75.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.494 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -58.69 -47.96 82.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.114 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.412 ' O ' HG13 ' D' ' 127' ' ' ILE . 68.2 m-20 -61.59 -42.47 98.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.995 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.23 75.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.456 ' HB3' ' CD1' ' D' ' 86' ' ' ILE . 10.5 t80 -60.16 -36.71 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.673 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -62.81 -34.74 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.405 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.473 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 10.3 mt -69.38 -50.03 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.646 ' O ' ' HB ' ' D' ' 132' ' ' THR . 27.6 t-80 -63.5 -48.43 77.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.774 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . 0.449 ' HA ' HG21 ' D' ' 83' ' ' ILE . 1.3 t30 -55.57 -60.36 3.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.042 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.46 -52.07 66.78 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . 0.417 HD11 HG21 ' D' ' 131' ' ' ILE . 56.4 mt -58.63 -41.51 82.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.431 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.646 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -61.58 -48.57 80.38 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.152 0.501 . . . . 0.0 109.654 179.042 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' D' ' 132' ' ' THR . 47.1 t -57.86 -46.12 87.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.276 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -63.44 -32.28 73.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.039 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -44.35 96.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.549 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -79.92 -36.47 36.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.78 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -56.1 18.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -95.69 98.1 10.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 t30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.603 0.239 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.43 -21.88 25.63 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.568 2.179 . . . . 0.0 112.548 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.38 -31.63 67.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.64 -41.88 78.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.91 -42.0 81.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.754 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -65.98 -44.9 83.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.4 -38.63 87.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -70.86 -35.24 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 t -60.46 -54.35 36.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.351 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.448 ' HB3' ' CE1' ' A' ' 39' ' ' TYR . 15.5 mt -57.93 -43.83 86.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.884 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -28.39 69.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.554 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.413 HG11 ' CD2' ' D' ' 112' ' ' LEU . 2.2 t -73.78 -39.47 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.802 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 23.3 mt -61.83 -39.69 92.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.647 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.36 -40.22 70.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -65.36 -54.71 24.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 77.2 mt -52.98 -53.75 45.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.075 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.13 -45.88 53.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.825 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.16 67.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.916 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HB3' ' CD2' ' D' ' 100' ' ' LEU . 1.1 mttm -66.76 -31.96 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.862 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 60.2 mt -67.41 -50.58 58.86 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.085 0.469 . . . . 0.0 110.543 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -26.5 68.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.908 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.79 -33.32 27.33 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HE2' ' CD2' ' D' ' 100' ' ' LEU . 0.8 OUTLIER -78.39 -33.52 48.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.491 -179.726 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.83 25.79 3.81 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.575 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -122.7 83.86 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.916 0.389 . . . . 0.0 109.999 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.05 13.2 23.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.562 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -78.59 -55.75 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.181 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.45 ' NE2' ' CD2' ' D' ' 95' ' ' HIS . 4.2 mp0 -67.48 -14.5 62.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.607 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -51.22 -45.63 61.97 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.736 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -57.5 -33.54 68.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.565 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HE3' HD12 ' D' ' 84' ' ' LEU . 22.3 mmmt -70.6 -35.68 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.398 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 2.9 mt -70.4 -36.63 74.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.371 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.4 p -73.14 -32.1 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.137 0.494 . . . . 0.0 109.907 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.424 ' HB2' HD13 ' D' ' 84' ' ' LEU . . . -75.17 -44.32 47.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.549 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.428 ' CD1' HD21 ' D' ' 89' ' ' LEU . 3.1 t80 -68.72 -47.29 66.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.286 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -56.3 -53.46 56.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.928 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -51.41 69.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 89.4 m -55.56 -39.57 70.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 mt -62.88 -35.44 80.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.547 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -72.37 -28.87 63.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.088 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.1 m -42.45 128.92 2.9 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.447 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.82 -58.64 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.571 2.181 . . . . 0.0 112.67 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -57.7 -34.3 69.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.468 ' N ' ' HG ' ' A' ' 46' ' ' LEU . 9.2 t80 -62.32 -47.81 82.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.105 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -55.89 -37.57 69.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.026 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.9 -41.1 97.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.352 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.401 HG12 ' CD2' ' C' ' 53' ' ' LEU . 2.4 mt -60.13 -45.71 95.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.715 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -64.09 -44.23 92.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.342 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.0 m -54.56 -39.58 67.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.0 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' CD2' HG12 ' C' ' 50' ' ' ILE . 0.9 OUTLIER -61.5 -50.43 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.012 178.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.73 -31.84 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.943 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -40.24 96.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.931 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.7 t -60.83 -48.82 80.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.687 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.441 ' CG2' ' CG2' ' B' ' 131' ' ' ILE . 67.4 mt -59.8 -34.93 57.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.923 178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -42.45 89.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.037 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -62.81 -40.74 98.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.945 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.53 -42.04 74.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.637 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -63.69 -50.52 68.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.65 -44.54 97.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.6 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -62.02 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.26 87.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.878 0.37 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -172.46 56.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -74.07 143.8 45.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.416 ' CD1' ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -98.27 -159.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' C' ' 38' ' ' PHE . 25.1 tp -155.22 -36.87 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.04 104.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.508 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.519 ' O ' ' HB2' ' B' ' 90' ' ' PHE . 0.8 OUTLIER -49.88 -25.01 2.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.626 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.26 -48.38 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.069 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.4 -34.73 58.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.803 178.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.513 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -71.42 -29.04 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.453 179.387 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 8.2 t80 -72.39 -50.54 25.78 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.904 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.5 t -63.31 -27.2 69.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.484 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 55.8 m -65.33 -51.57 59.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.651 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 89' ' ' LEU . 0.8 OUTLIER -58.36 -38.33 77.01 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.564 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -59.39 -39.89 84.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.581 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.419 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.6 t60 -69.73 -53.52 18.07 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.48 HG23 HD12 ' B' ' 109' ' ' ILE . 9.4 mt -51.33 -39.69 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.041 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.412 ' CG ' HG23 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -62.51 -52.06 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.039 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -80.0 -4.45 52.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.503 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' THR . . . . . 0.404 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -96.66 -34.0 11.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.304 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.454 HD13 HD11 ' B' ' 109' ' ' ILE . 71.8 mt -91.62 -54.92 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.076 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.87 38.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.695 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.44 27.37 5.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.454 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 50.1 m 65.03 -73.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.597 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -60.39 -26.8 66.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.847 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.442 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 53.9 p -73.12 -50.65 21.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.199 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.421 ' HA ' HD13 ' B' ' 109' ' ' ILE . 4.4 pt20 -62.46 -30.84 71.54 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' B' ' 104' ' ' GLN . 4.3 pt-20 -73.87 -39.73 63.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.371 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -71.23 -42.1 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.48 HD12 HG23 ' B' ' 96' ' ' ILE . 4.1 mt -60.13 -49.55 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.818 178.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 4.3 t -57.32 -37.33 72.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.546 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 7.6 tt -58.0 -48.1 81.04 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.972 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 mt -63.5 -43.59 96.8 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 3.2 mt -55.73 -43.95 77.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.442 179.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.18 -46.18 91.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.425 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 5.7 mp -61.81 -45.93 91.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.977 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.458 ' CG1' HG23 ' B' ' 86' ' ' ILE . 73.3 t -60.31 -46.37 95.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.571 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.458 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 52.1 mt-30 -74.57 -16.76 60.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . 0.476 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 50.1 t-20 -59.62 131.36 50.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.849 0.357 . . . . 0.0 110.385 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -54.42 -58.78 6.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.979 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.21 -50.41 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.399 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.476 ' HB3' ' HB3' ' B' ' 118' ' ' ASN . 11.7 t80 -58.23 -56.22 24.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.94 0.4 . . . . 0.0 110.522 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -55.48 -30.72 61.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.8 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.518 ' HB3' HG12 ' D' ' 127' ' ' ILE . 71.0 m-20 -68.35 -51.13 47.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.533 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' B' ' 127' ' ' ILE . . . -59.32 -47.92 83.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.615 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.465 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 4.4 t80 -58.82 -34.94 72.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.636 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -65.35 -37.53 87.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.434 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.479 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 13.0 mt -62.98 -49.78 82.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.614 ' O ' ' HB ' ' B' ' 132' ' ' THR . 23.3 t-80 -63.49 -48.94 75.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.91 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -55.22 -60.2 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.931 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.17 -52.06 66.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.74 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.446 HD11 HG22 ' B' ' 131' ' ' ILE . 68.9 mt -57.36 -46.7 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.21 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.614 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -57.12 -46.05 82.96 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.277 0.56 . . . . 0.0 109.664 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 90.1 t -56.42 -49.46 76.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.155 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -63.75 -31.02 72.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.341 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 27.7 ttm -56.35 -60.05 4.08 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -67.67 -28.22 67.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -42.73 77.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -108.49 -177.9 3.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.057 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.913 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.53 0.205 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -66.09 -43.96 8.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.522 2.148 . . . . 0.0 112.026 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.74 -30.36 43.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.238 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.14 84.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.73 -54.03 48.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.704 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -60.98 -42.45 98.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.468 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.41 -44.83 96.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.142 0.496 . . . . 0.0 109.692 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' C' ' 14' ' ' GLN . 30.0 tp60 -66.56 -35.96 81.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.365 178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.417 ' CG2' ' CD2' ' B' ' 115' ' ' LEU . 43.4 t -60.26 -43.4 93.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.475 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.497 ' HA ' HD13 ' C' ' 16' ' ' LEU . 7.2 mt -62.5 -52.73 62.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.887 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' C' ' 11' ' ' GLN . 0.0 OUTLIER -67.16 -27.68 67.49 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.656 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.458 HG22 ' O ' ' C' ' 11' ' ' GLN . 2.3 t -72.86 -37.05 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.858 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' C' ' 13' ' ' LEU . 9.7 mt -64.13 -46.96 81.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.749 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.4 -38.8 91.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.636 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -53.4 51.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.976 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.432 ' CD2' HG13 ' B' ' 109' ' ' ILE . 39.2 mt -51.98 -57.36 9.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . 0.426 ' HG3' ' HB2' ' C' ' 35' ' ' LEU . 0.0 OUTLIER -52.18 -37.47 54.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.875 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.45 -47.02 92.19 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.913 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -64.21 -31.7 73.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.733 0.302 . . . . 0.0 110.698 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 40.3 mt -68.21 -50.43 54.2 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.774 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -32.28 66.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -82.75 -27.66 30.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.153 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . 0.423 ' HB2' ' HA ' ' C' ' 23' ' ' LEU . 3.6 mmtp -77.27 -35.18 55.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.11 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.51 5.2 16.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -106.81 87.04 2.43 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.021 0.439 . . . . 0.0 110.146 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.45 14.62 14.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.026 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -84.01 -52.08 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.448 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.419 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 3.1 mp0 -72.57 -20.96 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.645 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -53.03 -45.36 67.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.93 -32.65 66.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.197 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -67.6 -45.14 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.258 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' C' ' 39' ' ' TYR . 2.0 mt -61.81 -37.67 85.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.437 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 22.8 p -71.46 -31.66 67.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.119 0.485 . . . . 0.0 109.911 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.39 -44.8 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.363 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.451 ' HB2' HD22 ' B' ' 84' ' ' LEU . 2.6 t80 -71.6 -44.72 63.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.146 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.544 ' HB2' ' O ' ' C' ' 35' ' ' LEU . 8.3 t80 -53.62 -53.22 54.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.003 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -52.12 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 87.2 m -54.51 -33.6 60.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.946 0.403 . . . . 0.0 110.794 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.46 ' HB3' HD21 ' C' ' 13' ' ' LEU . 0.3 OUTLIER -68.52 -37.6 80.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.462 ' HE3' ' CE1' ' C' ' 39' ' ' TYR . 0.0 OUTLIER -69.44 -27.91 65.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.805 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -49.13 124.38 13.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.261 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.62 -37.65 36.06 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.405 2.07 . . . . 0.0 112.052 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.435 ' CD1' ' CG1' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -63.94 -47.89 78.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.1 179.532 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' B' ' 125' ' ' PHE . 20.9 t80 -57.75 -47.54 82.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.416 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -55.92 -37.41 68.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.372 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -61.91 -42.88 99.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.256 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . 0.41 HG12 ' CD2' ' A' ' 53' ' ' LEU . 2.7 mt -58.46 -46.5 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.544 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.415 HD22 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -65.83 -35.62 81.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.169 179.52 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 28.3 m -53.59 -52.16 60.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.101 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . 0.401 ' CD2' HG12 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -59.35 -44.02 92.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.783 178.836 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.31 -35.54 75.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.305 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.38 -41.67 98.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.189 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -46.41 90.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.185 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.411 ' CD1' ' CD1' ' A' ' 46' ' ' LEU . 34.8 mt -59.63 -37.68 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.218 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . 0.41 ' HA ' ' CD ' ' C' ' 61' ' ' LYS . 16.1 tppt? -61.85 -37.73 85.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.824 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -38.26 88.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.561 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' C' ' 64' ' ' LEU . 1.1 mt -62.95 -60.24 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.477 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . 0.41 ' CD ' ' HA ' ' C' ' 58' ' ' LYS . 0.0 OUTLIER -57.74 -20.72 36.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.414 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.49 -20.16 20.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.102 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -134.73 31.94 3.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.854 0.327 . . . . 0.0 111.35 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' C' ' 60' ' ' LEU . 0.6 OUTLIER -64.64 91.85 0.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.849 0.357 . . . . 0.0 110.848 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.997 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.8 0.333 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -170.03 33.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -88.65 136.0 33.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.637 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.433 ' CD1' HG23 ' D' ' 132' ' ' THR . 1.0 OUTLIER -87.15 171.21 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.967 0.413 . . . . 0.0 111.142 -179.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.437 HD12 ' HE3' ' A' ' 34' ' ' LYS . 48.0 tp -129.26 -39.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.21 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 57.33 107.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.347 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.49 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 0.8 OUTLIER -49.82 -25.8 2.43 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.731 -179.399 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.45 -47.47 81.73 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.358 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -77.13 -34.56 56.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.22 -30.03 64.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.514 179.432 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.2 t80 -72.26 -48.16 44.71 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 97.4 p -63.62 -28.39 69.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.421 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 92' ' ' SER . . . . . 0.42 ' OG ' HD13 ' D' ' 96' ' ' ILE . 22.9 t -63.76 -53.12 55.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.637 ' HA ' HD12 ' D' ' 96' ' ' ILE . 0.5 OUTLIER -58.62 -34.81 71.57 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.338 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -59.66 -42.18 92.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.602 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . 0.45 ' CD2' ' NE2' ' A' ' 31' ' ' GLN . 1.7 t60 -68.78 -55.23 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' D' ' 93' ' ' LEU . 4.6 mt -52.95 -33.9 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.23 179.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . 0.403 ' HB3' ' O ' ' D' ' 93' ' ' LEU . 0.1 OUTLIER -66.66 -49.11 67.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.78 -21.27 57.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.37 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.05 -37.02 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.918 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.439 ' CB ' ' HB3' ' D' ' 105' ' ' SER . 21.5 mt -107.55 75.5 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -95.26 37.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.26 -178.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.07 28.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.916 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 22.6 t 66.96 -70.59 0.11 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.728 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -34.81 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.05 0.452 . . . . 0.0 110.483 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.439 ' HB3' ' CB ' ' D' ' 100' ' ' LEU . 1.3 m -67.39 -43.44 81.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -34.46 73.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.03 -42.55 72.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.065 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . 0.403 ' HB3' HG13 ' A' ' 15' ' ' VAL . 47.0 m-20 -70.46 -42.26 71.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.653 0.74 . . . . 0.0 109.097 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.44 HG13 ' CD2' ' A' ' 19' ' ' LEU . 4.2 mt -61.04 -49.54 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.681 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 1.1 m -57.59 -33.16 67.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.689 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -51.56 68.93 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.873 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . 0.413 ' CD2' HG11 ' A' ' 15' ' ' VAL . 2.0 mt -63.48 -42.29 98.56 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.409 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.428 ' CD2' ' HB2' ' D' ' 93' ' ' LEU . 5.6 mt -57.54 -41.41 80.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.777 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.8 -50.08 73.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.954 0.407 . . . . 0.0 110.497 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.462 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 1.4 mp -60.97 -48.85 79.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.143 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.415 ' CG1' HG12 ' D' ' 86' ' ' ILE . 47.9 t -60.65 -40.37 84.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.563 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.436 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 44.4 mt-30 -82.21 -10.77 59.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.777 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.43 140.36 58.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 110.55 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -64.77 -58.28 6.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.306 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.35 -50.08 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.885 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.2 t80 -55.68 -47.31 76.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.451 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.12 -42.7 69.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.426 ' HB3' HG12 ' B' ' 127' ' ' ILE . 65.7 m-80 -60.48 -49.52 77.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.0 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . 0.434 ' HA ' ' CD1' ' D' ' 127' ' ' ILE . . . -56.7 -48.21 78.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.045 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.439 ' CD1' HD12 ' D' ' 86' ' ' ILE . 10.5 t80 -59.02 -36.49 75.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -64.91 -36.58 84.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.518 HG12 ' HB3' ' B' ' 123' ' ' ASN . 15.5 mt -63.4 -49.72 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 0.0 110.58 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.64 ' O ' ' HB ' ' D' ' 132' ' ' THR . 17.5 t-80 -66.41 -40.83 89.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.077 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -60.88 2.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.41 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . . . . . . . . . 46.3 mt -53.83 -35.8 28.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.3 -50.82 70.13 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.154 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.403 ' N ' HG23 ' D' ' 132' ' ' THR . 14.4 t -52.94 -50.76 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.037 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -30.8 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.734 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 135' ' ' MET . . . . . 0.4 ' CG ' ' CD1' ' C' ' 64' ' ' LEU . 29.1 ttm -58.76 -62.05 2.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -69.85 -36.0 75.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -66.09 -64.36 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.83 128.99 38.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.894 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.553 0.216 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -62.58 -47.95 8.3 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.547 2.164 . . . . 0.0 112.092 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.28 -27.53 6.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.363 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.04 89.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.08 -49.08 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.711 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -60.1 -44.46 94.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.605 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.8 mmt -61.4 -44.47 97.09 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 32.7 tp60 -65.81 -37.38 86.1 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -59.56 -51.47 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.383 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . 7.7 mt -57.49 -45.25 85.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.099 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -28.24 68.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.666 178.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.413 HG11 ' CD2' ' D' ' 112' ' ' LEU . 2.6 t -72.7 -39.93 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.843 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 34.1 mt -63.28 -40.08 96.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.918 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -69.38 -44.11 72.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -63.59 -54.14 40.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 68.8 mt -52.16 -57.33 9.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.967 0.413 . . . . 0.0 110.604 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG2' ' ND2' ' A' ' 32' ' ' ASN . 3.6 tmm_? -50.03 -37.81 34.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.015 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.12 -48.23 87.16 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.168 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -61.37 -35.71 78.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.716 0.293 . . . . 0.0 111.005 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 24.6 mt -65.09 -50.45 66.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.681 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.86 -27.02 66.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.173 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.58 -33.26 28.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.578 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -81.6 -30.19 33.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.364 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.63 23.56 4.34 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.411 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -114.74 80.56 1.43 Allowed 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.013 0.435 . . . . 0.0 110.028 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.69 23.58 6.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.209 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -92.99 -44.47 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.677 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.4 ' CD ' ' CD2' ' D' ' 95' ' ' HIS . 4.4 mp0 -72.83 -23.39 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.4 ' ND2' ' HG2' ' A' ' 20' ' ' ARG . 4.1 m120 -46.86 -47.61 21.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.696 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.77 -33.13 66.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.953 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HA ' ' CD1' ' D' ' 84' ' ' LEU . 3.2 mmmm -75.12 -39.52 60.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.954 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.533 ' O ' ' HB2' ' A' ' 39' ' ' TYR . 2.8 mt -68.64 -32.59 72.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.228 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -33.89 62.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.103 0.478 . . . . 0.0 109.889 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' D' ' 84' ' ' LEU . . . -74.39 -48.14 29.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.507 179.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.492 ' CD1' HD21 ' D' ' 89' ' ' LEU . 45.1 t80 -62.26 -51.89 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.33 0.586 . . . . 0.0 109.889 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.533 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.86 -53.87 49.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.778 179.607 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -57.83 -47.64 82.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.845 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.46 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 78.4 m -58.37 -36.39 73.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.577 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 38' ' ' PHE . 7.6 mt -65.65 -34.01 77.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.297 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -80.08 -27.29 39.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.325 -179.747 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.86 138.47 2.31 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.509 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.04 -48.86 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.521 2.147 . . . . 0.0 112.36 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.424 ' CD1' ' CG1' ' C' ' 57' ' ' ILE . 2.7 tp -63.52 -46.06 87.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.989 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.495 ' CE1' ' CD2' ' A' ' 51' ' ' LEU . 22.5 t80 -57.58 -46.84 83.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.35 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -55.84 -39.25 71.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.285 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.29 96.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.37 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.0 mt -59.84 -42.77 90.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.738 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.495 ' CD2' ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -69.45 -37.59 77.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.471 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 83.9 m -53.71 -48.9 69.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.185 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.78 -51.06 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.037 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -31.1 68.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.599 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -66.72 -39.5 88.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.219 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -39.52 93.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.845 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.46 HG12 ' CD1' ' C' ' 46' ' ' LEU . 1.5 mt -62.5 -41.0 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.273 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -59.19 -43.83 92.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.331 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -58.98 -42.42 89.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.385 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.64 -41.43 86.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.781 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 mtmm -63.96 -44.6 92.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.48 -33.07 67.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -76.01 -49.41 17.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.794 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.71 106.59 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.738 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.991 0.424 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -178.83 51.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.96 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.47 132.58 47.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.024 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.417 ' CD1' ' CG2' ' B' ' 132' ' ' THR . 1.2 mm -88.22 -172.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.355 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.411 ' CD2' HD21 ' B' ' 89' ' ' LEU . 13.6 tp -153.32 -36.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.502 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.58 108.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' B' ' 90' ' ' PHE . 0.9 OUTLIER -52.81 -26.17 10.2 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.149 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.75 -49.12 76.29 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.074 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -34.07 60.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.258 0.551 . . . . 0.0 109.694 178.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.514 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -71.23 -29.24 64.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.397 179.298 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.545 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 8.8 t80 -72.23 -50.48 27.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.028 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 1.1 m -63.74 -27.08 68.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.492 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.0 m -65.52 -50.82 63.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.666 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' B' ' 89' ' ' LEU . 0.8 OUTLIER -59.69 -38.93 82.92 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.676 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . 0.419 ' HE3' ' CE1' ' B' ' 90' ' ' PHE . 1.1 mptm? -59.4 -38.65 81.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.578 179.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' B' ' 95' ' ' HIS . 0.6 OUTLIER -70.26 -49.14 52.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.161 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.437 ' HA ' ' HB ' ' B' ' 99' ' ' THR . 17.3 mt -53.52 -45.51 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.117 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.419 ' HG3' ' CG2' ' B' ' 109' ' ' ILE . 1.4 tt0 -58.62 -49.1 78.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.021 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -1.08 48.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 110.586 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' THR . . . . . 0.437 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.8 m -101.23 -31.52 10.96 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.453 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.402 HD13 HD23 ' C' ' 19' ' ' LEU . 53.3 mt -92.07 -50.25 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.191 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.52 39.46 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.522 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.6 OUTLIER -101.16 20.1 16.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 179.731 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.2 t 65.73 -71.69 0.08 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.796 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' B' ' 102' ' ' ASP . 65.6 tp60 -59.95 -30.6 69.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.171 0.51 . . . . 0.0 110.048 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' B' ' 109' ' ' ILE . 2.5 m -70.31 -39.95 74.49 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.534 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -33.91 76.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.015 0.436 . . . . 0.0 110.244 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -40.96 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.499 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.409 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 50.6 m-20 -70.61 -43.65 68.88 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.456 HG13 ' CD2' ' C' ' 19' ' ' LEU . 5.4 mt -59.43 -49.2 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.369 178.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 1.1 m -56.69 -34.29 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.07 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -51.29 70.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.994 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.423 ' CD2' HG11 ' C' ' 15' ' ' VAL . 1.3 mt -63.66 -40.62 97.3 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.483 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 5.4 mt -58.46 -43.97 89.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.728 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' B' ' 117' ' ' GLN . 4.9 mt-30 -61.01 -47.44 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.992 0.425 . . . . 0.0 110.693 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.44 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.5 mp -61.24 -46.15 91.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.728 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.455 ' CG1' HG23 ' B' ' 86' ' ' ILE . 84.8 t -59.95 -47.58 91.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.215 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.504 ' HG2' ' CZ ' ' B' ' 90' ' ' PHE . 5.7 mt-30 -71.65 -23.63 61.72 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . 0.524 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 19.1 t-20 -51.48 127.46 20.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -52.93 -59.04 5.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.143 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.52 -50.42 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.117 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.524 ' HB3' ' HB3' ' B' ' 118' ' ' ASN . 11.3 t80 -56.01 -51.19 68.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -39.64 60.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.441 ' O ' HG13 ' B' ' 127' ' ' ILE . 4.0 m-20 -67.37 -46.89 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.58 -48.97 76.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.505 ' HA ' ' CE1' ' C' ' 47' ' ' PHE . 13.2 t80 -60.72 -36.76 79.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.055 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -38.98 91.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.542 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.458 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 6.8 mt -64.7 -49.3 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.996 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.61 ' O ' ' HB ' ' B' ' 132' ' ' THR . 15.4 t-80 -67.34 -30.61 70.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.181 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -64.27 -60.83 2.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.06 -52.1 46.31 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 50.2 mt -53.59 -36.8 29.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.524 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.61 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.9 OUTLIER -61.64 -52.42 64.44 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.807 0.813 . . . . 0.0 108.823 178.062 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 15.5 t -54.53 -47.89 70.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.449 -1.251 . . . . 0.0 110.648 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -63.81 -32.6 74.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.534 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 29.7 ttm -57.84 -56.79 17.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.814 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -67.49 -34.78 77.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.97 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -31.09 67.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.23 96.28 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 m120 . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.767 0.318 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -68.75 -40.65 6.84 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.669 2.246 . . . . 0.0 111.963 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.67 -27.17 10.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.376 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.59 81.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.05 -49.05 63.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -58.76 -44.31 90.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.713 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.7 tpt -61.23 -39.25 89.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.995 0.426 . . . . 0.0 109.864 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.408 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 33.2 tp60 -72.41 -32.77 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.528 178.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.45 -55.11 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.467 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.449 ' HB3' ' CE2' ' C' ' 39' ' ' TYR . 16.5 mt -57.95 -44.44 86.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.929 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -28.38 68.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.643 178.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.423 HG11 ' CD2' ' B' ' 112' ' ' LEU . 2.2 t -72.93 -40.51 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.833 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.23 -40.0 94.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.37 -43.37 73.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.776 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -54.4 39.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.456 ' CD2' HG13 ' B' ' 109' ' ' ILE . 79.5 mt -52.26 -53.92 37.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 110.571 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . 0.401 ' CB ' HD13 ' C' ' 35' ' ' LEU . 3.2 tpt85 -49.91 -41.69 46.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.667 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.3 -48.42 83.7 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.029 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -57.01 -38.53 73.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.017 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 23.6 mt -64.41 -50.53 67.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.781 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -26.81 62.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.413 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.43 -33.24 28.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.616 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -81.81 -32.44 31.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.418 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.39 12.94 7.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.659 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 2.9 m-20 -103.87 79.66 1.67 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 110.097 179.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.23 17.23 8.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.15 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 51.6 m -87.31 -51.28 6.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.494 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.404 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 2.9 mp0 -72.21 -24.74 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.604 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -46.75 -47.6 20.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.018 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.86 -32.47 65.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.98 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -70.18 -39.33 75.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.114 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.401 HD13 ' CB ' ' C' ' 20' ' ' ARG . 3.3 mt -65.63 -33.15 75.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.387 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.15 -33.95 56.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.909 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.47 -42.35 65.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.515 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.455 ' CD1' HD21 ' B' ' 89' ' ' LEU . 3.2 t80 -73.63 -38.94 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.549 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.471 ' CZ ' ' HD3' ' C' ' 43' ' ' LYS . 28.4 t80 -66.06 -53.64 35.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.112 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.426 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 12.8 mt-10 -60.24 -45.34 93.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' THR . . . . . 0.422 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 87.8 m -56.41 -43.33 79.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.403 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mt -59.19 -37.04 76.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.041 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.471 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.5 OUTLIER -73.99 -29.03 61.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.883 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.08 142.02 4.23 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.15 -46.31 1.11 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.44 2.093 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 57' ' ' ILE . 3.2 mm? -57.91 -55.37 35.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.038 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.505 ' CE1' ' HA ' ' B' ' 125' ' ' PHE . 1.9 t80 -54.87 -47.64 73.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.857 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.61 -33.54 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -70.47 -37.78 74.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.576 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 31.5 mt -64.68 -42.54 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.012 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.442 HD23 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -68.38 -37.89 80.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.862 0.363 . . . . 0.0 110.17 179.634 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 62.8 m -53.95 -49.01 69.68 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -43.29 92.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.461 178.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -33.2 74.33 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.63 178.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.16 -40.7 94.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.801 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 14.4 t -60.85 -50.55 72.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.863 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.424 ' CG1' ' CD1' ' A' ' 46' ' ' LEU . 49.7 mt -59.91 -35.85 63.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.931 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -40.07 87.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.205 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -39.32 92.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.125 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -55.99 -47.23 78.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.607 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -44.08 88.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.867 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.13 -48.47 85.78 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -59.78 -43.45 94.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mt -81.24 96.7 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.83 0.348 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 31.1 m 42.02 53.93 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.153 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -65.55 144.86 56.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.499 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.431 ' CD1' ' CG2' ' D' ' 132' ' ' THR . 0.0 OUTLIER -99.27 -169.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.327 0.584 . . . . 0.0 111.436 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' D' ' 84' ' ' LEU . 2.6 tp 179.64 53.39 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.163 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' D' ' 84' ' ' LEU . 0.6 OUTLIER -34.39 121.05 0.48 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.476 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' D' ' 89' ' ' LEU . 0.7 OUTLIER -48.91 -28.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.356 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.33 -50.37 74.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.191 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -37.11 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.279 0.561 . . . . 0.0 109.646 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.565 ' CD2' HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -66.8 -29.3 69.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.224 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.501 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -69.46 -50.02 49.51 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.204 0.526 . . . . 0.0 109.601 178.756 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 91.1 p -58.65 -31.22 67.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.028 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.82 -52.43 60.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.452 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.498 ' HA ' HD13 ' D' ' 96' ' ' ILE . 0.6 OUTLIER -61.65 -40.58 95.42 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.328 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -59.81 -38.73 82.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.497 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . 0.4 ' CD2' ' CD ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -72.2 -48.74 40.83 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.335 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' D' ' 93' ' ' LEU . 14.1 mt -54.6 -44.49 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.522 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . 0.483 ' HB3' ' CG2' ' D' ' 109' ' ' ILE . 14.7 pt20 -61.76 -44.57 96.63 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.654 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . 0.403 ' N ' ' HG3' ' D' ' 97' ' ' GLN . 1.0 OUTLIER -84.31 -0.88 54.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.919 0.39 . . . . 0.0 110.564 179.162 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 99' ' ' THR . . . . . 0.414 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.3 m -101.44 -33.93 9.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.401 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . . . . . . . . . 75.7 mt -87.67 -50.81 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.466 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.35 41.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.503 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.5 OUTLIER -103.92 21.3 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.628 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.38 -73.27 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.555 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -58.76 -29.85 67.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.14 0.495 . . . . 0.0 109.811 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.418 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 1.6 m -69.83 -42.25 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.364 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -31.38 72.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.092 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.6 -41.6 68.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.757 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -70.58 -44.82 66.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.483 ' CG2' ' HB3' ' D' ' 97' ' ' GLN . 5.2 mt -59.64 -49.04 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.441 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 27.9 t -56.67 -33.81 66.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.067 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -51.32 70.45 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.039 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . 0.413 ' CD2' HG11 ' A' ' 15' ' ' VAL . 2.5 mt -61.7 -43.15 99.41 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' D' ' 117' ' ' GLN . 4.5 mt -55.87 -49.61 72.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.589 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . 0.418 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 6.7 mt-30 -61.32 -43.12 99.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.229 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.485 ' O ' ' CG ' ' D' ' 121' ' ' PHE . 1.9 mp -61.08 -40.05 92.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.567 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.426 ' CG1' ' CG2' ' D' ' 86' ' ' ILE . 64.2 t -66.13 -53.85 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.407 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -65.15 -16.29 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.844 -179.484 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.07 129.38 34.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.736 0.303 . . . . 0.0 110.698 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -58.63 7.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.584 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -44.7 88.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.485 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 19.1 t80 -60.14 -56.14 25.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.573 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.67 -31.88 39.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.435 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.422 ' HB3' ' CD1' ' B' ' 127' ' ' ILE . 14.6 m-20 -66.42 -49.83 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.768 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.867 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.44 ' CG ' HD11 ' D' ' 86' ' ' ILE . 4.5 t80 -59.82 -34.6 73.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.063 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -41.62 87.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.857 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.491 HD11 HG21 ' D' ' 127' ' ' ILE . 55.6 mt -61.3 -49.74 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.984 0.421 . . . . 0.0 110.876 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.648 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.6 t-80 -66.28 -45.54 80.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.162 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -54.91 -60.19 3.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.74 -52.15 66.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . . . . . . . . . 82.2 mt -57.29 -42.7 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.322 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.648 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -62.08 -46.39 89.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.184 0.516 . . . . 0.0 109.879 179.218 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.418 ' N ' ' CG2' ' D' ' 132' ' ' THR . 88.5 t -52.78 -51.19 38.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.651 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -30.72 71.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.303 179.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 22.3 ttm -56.09 -61.89 2.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.987 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -64.94 -39.08 92.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.991 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -60.54 -65.0 0.76 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 61.12 46.16 8.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 CA--C 1.528 0.135 0 CA-C-O 120.694 0.283 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.28 -26.69 44.32 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.71 2.273 . . . . 0.0 112.339 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.05 -29.82 67.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.92 -45.29 90.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.04 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.45 -52.91 63.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -57.85 -43.53 85.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.572 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.3 mmt -61.46 -45.53 93.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.042 0.449 . . . . 0.0 109.878 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -66.19 -32.85 74.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.734 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 t -59.94 -54.98 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.644 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' CD1' ' HE2' ' A' ' 43' ' ' LYS . 18.5 mt -56.73 -45.53 81.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -29.34 68.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' D' ' 108' ' ' ASP . 3.3 t -72.46 -36.11 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.622 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.16 -43.58 94.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.717 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.74 -48.27 79.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.855 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -54.91 41.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.432 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 91.6 mt -55.34 -54.64 41.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.52 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 32' ' ' ASN . 4.4 tmm_? -51.66 -37.24 49.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.929 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.64 -48.94 83.73 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.124 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.526 ' HB3' HD23 ' D' ' 100' ' ' LEU . 9.9 mttm -59.9 -41.12 90.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.57 0.224 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 31.6 mt -57.0 -50.38 72.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.162 0.505 . . . . 0.0 110.375 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -61.37 -26.5 67.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.129 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.75 -33.28 27.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.05 0.452 . . . . 0.0 110.548 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.413 ' NZ ' ' HA ' ' D' ' 100' ' ' LEU . 0.0 OUTLIER -81.18 -33.26 33.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.436 -179.734 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.05 -12.35 9.21 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.521 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -76.43 79.17 3.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 109.934 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.57 23.95 2.45 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.708 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.9 m -101.57 -48.44 4.33 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.435 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -75.08 -24.86 58.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.742 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.41 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 33.8 p-10 -53.04 -43.98 67.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.683 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.11 -32.78 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.164 0.507 . . . . 0.0 110.056 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -66.7 -45.3 79.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.149 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.88 -31.03 70.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.447 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.0 m -77.19 -36.27 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.88 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.29 -42.42 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.279 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.449 ' CD2' HD11 ' A' ' 42' ' ' LEU . 46.0 t80 -71.41 -51.06 26.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.016 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.514 ' CZ ' ' HE3' ' A' ' 43' ' ' LYS . 9.1 t80 -55.28 -54.24 46.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.471 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' HA ' ' HG3' ' A' ' 43' ' ' LYS . 6.5 mm-40 -59.97 -52.6 64.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.099 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.407 HG22 ' CE1' ' D' ' 128' ' ' HIS . 88.3 m -54.75 -29.2 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.011 0.434 . . . . 0.0 110.255 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.449 HD11 ' CD2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -69.78 -36.01 75.38 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.405 179.246 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -68.57 -31.5 70.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.26 179.689 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -44.59 130.27 4.96 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.241 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.11 -39.55 7.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.524 2.15 . . . . 0.0 112.397 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.402 ' CD1' ' CG1' ' C' ' 57' ' ' ILE . 1.7 tp -62.13 -50.66 71.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.213 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.428 ' CE1' ' HA ' ' D' ' 125' ' ' PHE . 10.7 t80 -57.7 -42.0 82.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -57.14 -40.59 77.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.319 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -40.21 95.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.229 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.9 mt -58.1 -46.58 88.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.732 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -38.0 89.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.268 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.8 m -53.77 -51.54 63.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.458 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.03 -48.77 79.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.18 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -34.59 71.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.563 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -40.29 96.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.288 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -41.78 99.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.858 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.433 HG12 ' CD1' ' C' ' 46' ' ' LEU . 1.7 mt -60.25 -41.24 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.151 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -59.16 -41.45 88.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.843 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.39 89.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.165 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 64' ' ' LEU . 1.2 mt -57.47 -43.74 84.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.551 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -65.63 -29.91 70.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.33 7.91 43.95 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.183 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -159.24 29.11 0.2 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.857 0.329 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -55.34 126.93 27.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.02 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.026 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.648 0.261 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -173.55 -71.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.438 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp 62.52 145.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.686 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.474 ' N ' ' CD1' ' B' ' 83' ' ' ILE . 0.0 OUTLIER -99.64 -160.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 0.0 111.088 -179.684 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.431 HD23 ' CE2' ' B' ' 125' ' ' PHE . 27.5 tp -159.83 -33.95 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.284 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' B' ' 84' ' ' LEU . 0.3 OUTLIER 53.55 109.27 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.843 0.354 . . . . 0.0 111.014 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.533 ' O ' ' HB2' ' B' ' 90' ' ' PHE . 0.8 OUTLIER -52.03 -25.57 6.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.928 -179.365 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.68 -45.5 89.78 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.297 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -34.41 49.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.786 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.475 ' CD2' HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.13 -30.45 65.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.37 179.317 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.533 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 15.4 t80 -72.19 -48.85 40.06 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.852 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -31.27 71.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.54 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' SER . . . . . 0.412 ' O ' ' CD1' ' B' ' 96' ' ' ILE . 4.6 t -62.4 -53.43 54.99 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.389 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.676 ' HA ' HD13 ' B' ' 96' ' ' ILE . 0.6 OUTLIER -56.14 -36.23 68.02 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.315 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . 0.45 ' HA ' ' HG2' ' B' ' 97' ' ' GLN . 22.4 mmtt -59.89 -38.95 83.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.834 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.417 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 2.2 t60 -72.25 -53.15 13.38 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.676 HD13 ' HA ' ' B' ' 93' ' ' LEU . 3.6 mt -54.48 -34.97 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.947 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.467 ' HB3' ' CG2' ' B' ' 109' ' ' ILE . 5.3 pt20 -70.11 -40.18 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.435 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.457 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -80.8 -21.02 41.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.302 179.039 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -85.06 -40.15 17.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.025 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.438 ' HB3' ' CB ' ' B' ' 105' ' ' SER . 68.8 mt -95.07 88.22 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.97 35.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.5 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.19 13.69 18.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.858 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 69.42 -67.56 0.22 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.838 0.351 . . . . 0.0 111.327 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -56.07 -33.13 64.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.698 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' B' ' 100' ' ' LEU . 0.3 OUTLIER -68.54 -39.01 81.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.695 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.54 -34.12 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.269 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . 0.507 ' HG3' ' N ' ' B' ' 108' ' ' ASP . 0.0 OUTLIER -70.3 -39.79 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.51 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.507 ' N ' ' HG3' ' B' ' 107' ' ' GLU . 18.7 m-20 -70.94 -44.29 66.44 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' B' ' 97' ' ' GLN . 5.9 mt -58.97 -49.14 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.662 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 26.7 t -55.27 -37.57 67.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.237 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.4 tt -57.02 -51.12 70.53 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.02 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mt -61.37 -42.11 98.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' B' ' 117' ' ' GLN . 4.8 mt -57.05 -46.98 82.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.718 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . 0.4 ' HA ' ' CG ' ' B' ' 117' ' ' GLN . 4.5 mt-30 -60.82 -43.66 97.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.477 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 6.4 mp -61.13 -42.24 98.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.326 0.584 . . . . 0.0 109.485 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.472 ' CG1' HG23 ' B' ' 86' ' ' ILE . 72.0 t -63.28 -53.66 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.592 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' B' ' 113' ' ' LEU . 0.2 OUTLIER -64.64 -19.74 65.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.727 -179.238 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . 0.454 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 36.2 t30 -56.31 146.04 25.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.776 0.322 . . . . 0.0 110.564 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -58.61 3.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.865 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.36 -50.39 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.959 0.409 . . . . 0.0 111.137 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 10.0 t80 -58.53 -43.95 89.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.517 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.9 -35.48 66.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.692 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.476 ' O ' HG13 ' B' ' 127' ' ' ILE . 1.4 m-80 -68.04 -51.75 43.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.408 ' HA ' ' CG2' ' C' ' 50' ' ' ILE . . . -56.87 -39.66 74.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.07 0.462 . . . . 0.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.53 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 10.4 t80 -68.76 -39.42 80.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.428 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -43.73 74.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.223 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.532 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 60.4 mt -60.05 -50.01 81.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.638 ' O ' ' HB ' ' B' ' 132' ' ' THR . 26.8 t-80 -62.08 -46.73 87.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.003 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -55.2 -60.71 3.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.976 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.47 -52.16 65.67 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . . . . . . . . . 42.8 mt -56.65 -42.04 75.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.179 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.638 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -59.64 -42.83 93.64 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.441 HG22 HD12 ' B' ' 83' ' ' ILE . 45.3 t -52.72 -50.0 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.393 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -63.5 -31.7 72.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.107 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.22 -42.19 85.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.599 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -73.7 -37.25 65.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.89 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -56.36 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.002 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.62 121.3 10.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.885 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.563 0.221 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.88 -29.53 23.13 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.485 2.123 . . . . 0.0 112.372 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.92 -33.11 63.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.47 93.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -66.47 -45.0 81.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -44.17 92.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.6 tpt -61.57 -49.27 77.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.017 0.437 . . . . 0.0 110.023 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.05 -33.62 75.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.698 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 t -60.18 -55.51 23.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.586 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.448 ' HB3' ' CE2' ' C' ' 39' ' ' TYR . 14.2 mt -53.88 -43.88 69.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 110.361 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.7 -28.23 66.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.92 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.411 ' CG1' ' HB3' ' B' ' 108' ' ' ASP . 16.1 t -74.07 -39.1 50.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.091 179.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 7.9 mt -64.5 -41.44 96.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.925 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -69.33 -44.11 72.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.695 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -54.14 39.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.06 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' B' ' 109' ' ' ILE . 70.9 mt -53.86 -57.4 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 0.0 110.787 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -29.84 59.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.799 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.3 -45.95 88.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.816 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -62.28 -38.34 88.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.731 0.301 . . . . 0.0 110.711 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 26.9 mt -60.8 -50.14 74.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.962 0.411 . . . . 0.0 110.357 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -29.31 67.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.894 179.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -82.45 -31.78 29.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.544 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.38 -29.77 33.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.078 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.26 21.19 4.15 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.659 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -116.74 83.59 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.151 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.18 17.51 10.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.391 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 2.8 m -93.89 -46.73 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.416 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.417 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 4.5 mp0 -73.02 -22.3 60.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.774 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -56.71 -40.03 74.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -56.89 -32.8 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.114 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -73.35 -41.87 62.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.249 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' C' ' 35' ' ' LEU . 1.3 mt -67.47 -33.26 74.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.415 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 17.7 m -75.5 -31.2 60.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.819 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' B' ' 84' ' ' LEU . . . -74.63 -49.33 21.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.357 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.453 ' CE1' ' CD1' ' C' ' 42' ' ' LEU . 2.1 t80 -63.37 -47.3 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.277 0.561 . . . . 0.0 110.035 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.457 ' CE1' ' HD3' ' C' ' 43' ' ' LYS . 47.9 t80 -56.63 -53.89 52.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.2 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.419 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 0.8 OUTLIER -62.71 -44.3 96.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.65 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' THR . . . . . 0.457 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 87.9 m -59.8 -34.39 72.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.527 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.453 ' CD1' ' CE1' ' C' ' 38' ' ' PHE . 3.6 mt -68.99 -34.36 75.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.059 0.457 . . . . 0.0 110.228 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.457 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 0.5 OUTLIER -74.89 -31.01 61.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.0 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -46.61 146.38 2.53 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.356 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.89 -45.65 2.01 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.578 2.185 . . . . 0.0 112.365 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.433 ' CD1' HG12 ' A' ' 57' ' ' ILE . 3.7 mm? -57.93 -55.34 36.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.468 ' O ' ' HG ' ' C' ' 51' ' ' LEU . 8.5 t80 -52.66 -50.6 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -55.4 -34.1 64.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.294 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -67.89 -41.92 82.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.949 0.404 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . 0.408 ' CG2' ' HA ' ' B' ' 124' ' ' ALA . 3.0 mt -63.0 -36.83 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -69.67 -36.61 76.17 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.497 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -56.22 -47.74 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.41 -44.24 97.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.69 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -35.33 76.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.88 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.77 -36.42 83.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.607 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 35.3 m -60.77 -52.18 66.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.701 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.402 ' CG1' ' CD1' ' A' ' 46' ' ' LEU . 52.6 mt -60.26 -35.77 64.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.796 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -35.26 74.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.613 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -39.98 82.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.839 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' C' ' 57' ' ' ILE . 1.6 mt -53.21 -52.33 59.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.559 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -35.21 80.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.066 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.66 -22.04 65.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.921 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.94 -39.98 33.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 110.984 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mt -56.32 -61.28 2.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . 0.437 ' O ' ' CG1' ' D' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.522 -0.115 0 CA-C-O 120.608 0.242 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER -177.61 77.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.111 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.11 149.17 24.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.753 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.416 ' CD1' HG23 ' D' ' 132' ' ' THR . 1.1 mm -88.43 169.18 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.322 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 38' ' ' PHE . 54.8 tp -120.36 -40.29 2.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.997 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.51 104.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 0.7 OUTLIER -49.86 -27.01 3.16 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.375 -179.628 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -48.89 79.03 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.221 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -35.5 60.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.78 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' D' ' 93' ' ' LEU . 0.1 OUTLIER -71.34 -28.37 64.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.45 179.455 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.9 t80 -72.51 -50.28 27.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.858 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 8.5 t -63.36 -27.99 69.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.43 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 63.9 m -64.73 -52.48 56.85 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.731 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.8 OUTLIER -57.22 -37.92 72.98 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -59.44 -38.08 79.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.378 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.8 t60 -69.79 -54.42 13.72 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.442 HD13 ' HA ' ' D' ' 93' ' ' LEU . 7.0 mt -51.02 -39.8 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.923 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . 0.418 ' HG3' ' CG2' ' D' ' 109' ' ' ILE . 2.3 tt0 -62.81 -47.7 82.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.11 -16.03 57.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.579 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 99' ' ' THR . . . . . 0.422 ' N ' ' O ' ' D' ' 95' ' ' HIS . 1.2 m -87.26 -34.85 18.79 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.506 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' A' ' 22' ' ' LYS . 13.7 mt -90.11 -57.16 2.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.167 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.0 33.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.556 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.15 25.2 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.61 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t 66.74 -71.8 0.09 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.597 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -27.92 68.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.407 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 0.8 OUTLIER -72.55 -47.28 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.859 179.411 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -64.46 -30.42 71.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.754 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -39.62 63.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.076 0.465 . . . . 0.0 110.048 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . 0.425 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 43.8 m-20 -70.85 -42.88 69.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.418 ' CG2' ' HG3' ' D' ' 97' ' ' GLN . 6.4 mt -62.31 -49.09 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.587 178.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 110' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' D' ' 113' ' ' LEU . 33.3 m -54.81 -37.23 65.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.208 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . 0.423 ' HA ' ' HG2' ' D' ' 114' ' ' GLN . 6.2 tt -61.0 -45.22 95.71 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' D' ' 108' ' ' ASP . 4.2 mt -63.57 -41.19 98.4 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' D' ' 117' ' ' GLN . 3.0 mt -60.43 -43.24 96.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.448 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . 0.558 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -61.95 -37.24 83.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.38 179.722 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.558 ' N ' ' HG3' ' D' ' 114' ' ' GLN . 4.0 mp -70.53 -50.17 40.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.74 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.433 ' CG1' HG23 ' D' ' 86' ' ' ILE . 47.3 t -61.08 -37.34 77.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.588 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 15.5 mt-30 -81.93 -20.35 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.645 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -51.59 146.53 7.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.642 0.258 . . . . 0.0 110.652 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -58.76 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.395 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.93 -46.07 90.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 111.122 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.5 t80 -56.07 -56.31 22.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 3.1 tt0 -52.98 -35.05 58.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.716 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.471 ' HB3' HG12 ' B' ' 127' ' ' ILE . 0.7 OUTLIER -59.7 -51.34 70.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.862 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.61 -49.17 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.695 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.437 ' CD1' HD12 ' D' ' 86' ' ' ILE . 2.8 t80 -56.86 -36.68 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.703 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 22.6 mmtt -62.76 -40.81 98.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.221 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.532 ' CD1' ' CD1' ' B' ' 127' ' ' ILE . 53.3 mt -58.92 -50.05 80.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.436 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.591 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.2 t-80 -69.54 -32.0 70.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.793 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . 0.408 ' O ' ' CG2' ' D' ' 133' ' ' VAL . 1.8 m-20 -64.61 -60.88 2.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.681 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.09 -49.94 58.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.907 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . . . . . . . . . 39.0 mt -53.49 -39.26 36.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.634 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.591 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.15 -52.53 63.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.231 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' D' ' 129' ' ' ASN . 16.4 t -54.03 -44.75 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.774 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -63.22 -32.46 73.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.125 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 19.9 ttm -62.93 -40.5 97.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.442 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -79.9 -36.78 35.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -59.46 5.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.05 83.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 72.1 p . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.916 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.626 0.25 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.8 -51.91 4.31 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.566 2.177 . . . . 0.0 112.194 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.16 -38.6 53.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.426 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.59 -50.67 72.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.964 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 12' ' ' VAL . 2.6 mm-40 -64.01 -30.73 71.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -61.66 -48.45 80.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.905 0.383 . . . . 0.0 110.244 179.598 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -38.35 87.99 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' NE2' ' CG2' ' A' ' 15' ' ' VAL . 7.7 tm0? -68.56 -32.49 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.644 178.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' HB ' ' O ' ' A' ' 9' ' ' LYS . 2.7 t -61.76 -51.58 71.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.221 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.444 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 15.0 mt -59.29 -40.05 84.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.836 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -28.14 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.615 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.433 ' CG1' ' HB3' ' D' ' 108' ' ' ASP . 3.5 t -74.42 -38.44 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.012 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.6 mt -64.24 -38.88 92.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -72.33 -38.66 68.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.742 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -70.16 -54.2 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 84.7 mt -53.61 -53.49 51.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.997 0.427 . . . . 0.0 110.408 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HG2' ' HA ' ' A' ' 32' ' ' ASN . 4.7 tmm_? -53.11 -43.85 67.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.068 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.24 -42.85 93.63 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.345 -0.931 . . . . 0.0 111.864 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' LYS . 3.5 mttm -61.79 -42.15 98.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.595 0.236 . . . . 0.0 110.738 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 35.1 mt -58.6 -50.57 73.34 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 110.737 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -32.76 64.21 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -83.14 -26.13 31.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.626 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LYS . 7.9 mttt -82.31 -31.06 30.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.203 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.26 12.45 10.87 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.253 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -107.56 83.94 1.89 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.84 29.82 2.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.0 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -105.46 -51.94 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.509 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -73.71 -23.2 59.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -49.8 -38.77 35.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.945 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.32 -32.59 72.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.095 0.474 . . . . 0.0 110.027 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -42.89 74.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.347 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.3 mt -63.58 -30.73 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.494 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.7 p -77.4 -38.69 49.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.01 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.52 -39.95 73.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.456 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.442 ' CD1' HD23 ' D' ' 89' ' ' LEU . 2.3 t80 -73.84 -34.04 64.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.34 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 13' ' ' LEU . 55.8 t80 -69.71 -53.07 20.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.6 -50.13 75.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.044 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.455 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 74.3 m -55.4 -45.49 76.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.438 ' HB3' ' CD2' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -58.93 -35.7 73.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.08 0.467 . . . . 0.0 110.391 179.413 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 15.7 mtpt -76.32 -32.86 58.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.461 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 t -44.51 135.84 4.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.331 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.64 -41.34 15.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.47 2.113 . . . . 0.0 112.22 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.407 ' CD1' ' CD1' ' C' ' 57' ' ' ILE . 0.3 OUTLIER -62.13 -52.67 62.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.233 179.639 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.482 ' CE1' ' CD2' ' A' ' 51' ' ' LEU . 19.3 t80 -57.53 -44.95 85.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.514 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -39.13 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.743 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -62.7 -42.24 99.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.444 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.54 -45.08 90.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.482 ' CD2' ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -69.59 -34.86 74.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.514 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.2 m -53.91 -50.91 65.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.972 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.809 178.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -31.44 70.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.324 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -39.96 86.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.212 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -60.81 -45.46 94.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.931 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.4 ' CG2' ' CG2' ' B' ' 131' ' ' ILE . 7.0 mt -60.79 -37.18 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.277 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -39.56 86.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.904 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -40.25 96.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.115 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.58 -47.54 76.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.523 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -59.07 -52.86 63.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.13 -55.79 28.71 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -59.3 -30.26 68.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.679 0.276 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.5 mt -89.91 72.34 7.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.886 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.41 ' C ' ' CG2' ' B' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.861 0.362 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.41 ' CG2' ' C ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER 177.61 71.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.993 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -139.21 143.48 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.652 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.426 ' CD1' ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -99.42 -159.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 111.101 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.403 ' CD2' HD21 ' B' ' 89' ' ' LEU . 7.8 tp -173.62 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.495 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.81 115.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' B' ' 90' ' ' PHE . 0.9 OUTLIER -56.98 -26.59 24.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.451 -179.856 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.26 -48.01 79.97 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.477 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -34.61 55.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 109.809 178.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.497 HD22 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.34 -29.91 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.553 179.549 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.55 -48.03 43.44 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 22.5 p -62.57 -30.1 71.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.567 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' SER . . . . . 0.403 ' O ' ' CD1' ' B' ' 96' ' ' ILE . 1.3 m -63.97 -53.26 52.93 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.417 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.671 ' HA ' HD11 ' B' ' 96' ' ' ILE . 0.6 OUTLIER -56.35 -36.3 68.62 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.325 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -58.97 -43.55 91.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.671 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -67.36 -55.98 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.671 HD11 ' HA ' ' B' ' 93' ' ' LEU . 4.1 mt -50.93 -33.75 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.19 -0.913 . . . . 0.0 111.072 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' B' ' 93' ' ' LEU . 0.0 OUTLIER -65.38 -48.92 71.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.973 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -77.28 -22.15 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.382 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.06 -33.86 26.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.976 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.459 ' HB3' ' CB ' ' B' ' 105' ' ' SER . 95.4 mt -102.71 85.27 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.94 36.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.286 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -92.79 15.82 13.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.946 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.35 -68.12 0.18 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.779 0.323 . . . . 0.0 111.269 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -36.56 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.048 0.452 . . . . 0.0 110.686 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' B' ' 100' ' ' LEU . 50.4 m -67.59 -37.56 82.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.431 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.5 OUTLIER -63.32 -36.08 82.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.093 0.473 . . . . 0.0 110.195 179.439 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.52 -40.46 80.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.516 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.431 ' HB3' HG11 ' C' ' 15' ' ' VAL . 37.4 m-20 -70.28 -43.39 70.55 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.457 HG13 ' CD2' ' C' ' 19' ' ' LEU . 4.5 mt -59.28 -49.58 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.623 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 2.9 m -56.94 -34.12 67.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.865 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.91 -51.5 68.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.937 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.43 ' CD2' HG12 ' C' ' 15' ' ' VAL . 1.6 mt -63.53 -41.61 98.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.474 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' B' ' 117' ' ' GLN . 5.4 mt -57.77 -42.13 83.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.87 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.79 -49.5 76.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.936 0.398 . . . . 0.0 110.567 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.459 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.6 mp -61.79 -48.69 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.128 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.46 ' CG1' HG12 ' B' ' 86' ' ' ILE . 61.5 t -60.56 -37.27 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.587 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 75.4 mt-30 -85.79 -11.14 54.24 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -60.43 146.62 43.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.68 0.276 . . . . 0.0 110.508 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -58.69 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.176 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.06 -47.48 85.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.72 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.1 t80 -55.87 -54.16 48.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.4 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -50.29 -38.24 40.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.751 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.01 -47.62 85.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.654 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.36 -49.19 78.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.265 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.456 ' CD1' HD13 ' B' ' 86' ' ' ILE . 11.5 t80 -62.33 -37.45 85.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.255 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -63.94 -38.72 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.764 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.429 HD11 HD13 ' D' ' 127' ' ' ILE . 9.3 mt -63.72 -49.63 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.67 ' O ' ' HB ' ' B' ' 132' ' ' THR . 26.0 t-80 -67.92 -39.28 83.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.822 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.409 ' ND2' ' CG2' ' B' ' 83' ' ' ILE . 19.5 t-20 -55.32 -60.35 3.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.806 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.72 -51.52 48.31 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.434 HD11 HG23 ' B' ' 131' ' ' ILE . 70.5 mt -53.8 -43.73 57.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.528 0.204 . . . . 0.0 111.282 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.67 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.7 OUTLIER -60.14 -53.67 54.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.452 0.644 . . . . 0.0 109.536 178.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 57.5 t -53.59 -48.09 59.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -31.59 72.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.362 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 11.3 ttm -59.11 -49.93 76.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.694 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -76.12 -27.11 56.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.977 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -80.68 -71.91 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 60.92 84.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.055 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 84.7 p . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.946 179.923 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.573 0.225 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.87 -28.76 75.78 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.48 2.12 . . . . 0.0 112.371 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.81 -29.23 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.06 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.01 -39.22 81.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.133 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -64.57 -56.47 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -60.05 -43.41 95.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.601 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 5.1 mmt -61.41 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.852 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.404 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 32.2 tp60 -68.72 -34.09 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.627 178.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 25.8 t -60.12 -56.35 18.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.718 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' C' ' 42' ' ' LEU . 17.2 mt -57.46 -41.7 81.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.099 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -28.5 67.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.444 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' B' ' 108' ' ' ASP . 2.2 t -73.69 -37.92 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.83 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' C' ' 39' ' ' TYR . 23.8 mt -64.17 -42.75 96.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.077 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -39.17 78.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mtp-105 -68.08 -48.0 66.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.767 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.457 ' CD2' HG13 ' B' ' 109' ' ' ILE . 33.9 mt -58.96 -57.53 12.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.649 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . 0.419 ' HB3' ' CD1' ' C' ' 35' ' ' LEU . 0.0 OUTLIER -56.74 -30.04 63.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.595 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' C' ' 20' ' ' ARG . . . -64.93 -47.15 86.0 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.6 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -38.51 84.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 110.265 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 33.2 mt -61.07 -50.11 74.6 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.505 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.99 -32.13 61.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.6 -28.51 30.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.296 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -78.48 -33.05 48.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.41 13.5 8.87 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.326 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -112.57 85.43 2.16 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.027 0.441 . . . . 0.0 110.185 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.44 16.88 10.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.06 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m -88.1 -49.88 6.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.49 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -74.51 -22.29 59.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -54.21 -44.9 72.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -56.94 -32.75 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.336 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -70.74 -44.65 66.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.35 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.419 ' CD1' ' HB3' ' C' ' 20' ' ' ARG . 1.6 mt -60.23 -30.84 69.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.426 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 4.3 t -77.17 -34.44 56.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.993 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.28 -44.28 68.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.429 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.446 ' CD1' HD21 ' B' ' 89' ' ' LEU . 61.6 t80 -70.64 -43.68 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.265 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.472 ' CZ ' ' HD3' ' C' ' 43' ' ' LYS . 10.6 t80 -62.31 -53.57 53.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.093 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -58.5 -50.62 73.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 63.7 m -57.09 -38.2 73.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.855 0.36 . . . . 0.0 110.413 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.453 ' HB3' HD22 ' C' ' 13' ' ' LEU . 0.2 OUTLIER -60.55 -35.57 76.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.149 0.5 . . . . 0.0 110.076 179.263 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.472 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -73.4 -30.49 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.089 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 15.1 m -46.37 135.98 7.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.37 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.04 -38.92 8.63 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.54 2.16 . . . . 0.0 111.984 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -63.84 -54.16 39.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.148 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.475 ' CE1' ' CD2' ' C' ' 51' ' ' LEU . 13.6 t80 -57.61 -45.71 85.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.319 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -57.22 -39.14 74.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.614 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -60.13 -43.45 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.317 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 11.3 mt -58.35 -45.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.638 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.475 ' CD2' ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.56 -34.95 79.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.366 179.606 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -53.8 -52.64 59.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.064 0.459 . . . . 0.0 109.85 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.73 -40.79 89.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.509 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . 0.405 ' NE2' ' N ' ' B' ' 124' ' ' ALA . 5.2 mm-40 -62.07 -36.29 81.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.247 179.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -62.45 -38.43 89.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.786 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.87 -47.64 85.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.707 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.407 ' CD1' ' CD1' ' A' ' 46' ' ' LEU . 6.2 mt -62.1 -36.38 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.225 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -59.28 -37.22 77.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.821 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -39.88 85.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.949 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' C' ' 57' ' ' ILE . 1.1 mt -53.21 -49.21 67.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.528 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -65.53 -37.66 87.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.29 -24.22 69.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.783 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.33 -53.18 5.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.314 . . . . 0.0 110.974 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 mp -55.44 106.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 -179.874 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.862 0.363 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . 0.407 ' CG1' ' HB3' ' D' ' 136' ' ' ASN . 30.0 m 43.44 49.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.086 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.24 129.8 36.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.38 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.435 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.0 OUTLIER -108.7 -166.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.444 0.64 . . . . 0.0 111.783 -179.544 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . . . . . . . . . 8.7 tp -156.73 -34.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.793 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.76 111.77 0.01 OUTLIER 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.765 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.556 ' O ' ' HB2' ' D' ' 90' ' ' PHE . 1.0 OUTLIER -53.82 -24.96 11.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.503 -179.59 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.38 -50.11 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.192 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -33.73 60.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.147 0.499 . . . . 0.0 109.739 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.477 ' CD2' HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.13 -29.03 63.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.375 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.556 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.6 t80 -71.76 -49.57 37.85 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 5.6 m -61.64 -30.2 70.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.471 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -61.77 -53.1 60.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.273 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' D' ' 89' ' ' LEU . 0.8 OUTLIER -56.8 -37.88 71.78 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.482 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -37.18 78.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.475 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . 0.429 ' O ' ' HB ' ' D' ' 99' ' ' THR . 1.0 OUTLIER -71.26 -52.77 17.11 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.286 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.44 HG21 HD12 ' D' ' 109' ' ' ILE . 10.6 mt -53.05 -40.44 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.196 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . 0.466 ' HG3' HG22 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -61.5 -53.55 54.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.223 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.44 -2.61 42.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.027 0.442 . . . . 0.0 110.477 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 99' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' D' ' 95' ' ' HIS . 1.5 m -98.5 -33.46 11.0 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.566 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.414 HD13 HD23 ' A' ' 19' ' ' LEU . 48.5 mt -91.13 -53.48 4.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.209 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.75 36.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.68 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -97.13 21.57 9.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.831 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 28.6 t 66.1 -71.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.924 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -34.06 72.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.177 0.513 . . . . 0.0 109.864 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.407 ' O ' ' CD1' ' D' ' 109' ' ' ILE . 87.9 p -67.98 -41.6 82.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.28 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . 0.403 ' NE2' ' NE2' ' D' ' 97' ' ' GLN . 0.4 OUTLIER -61.49 -32.41 72.43 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.002 0.43 . . . . 0.0 110.16 179.555 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -42.41 71.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.649 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . 0.433 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 17.1 m-20 -70.64 -42.4 70.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.718 0.77 . . . . 0.0 108.977 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.466 HG22 ' HG3' ' D' ' 97' ' ' GLN . 5.1 mt -61.1 -49.24 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.589 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 110' ' ' SER . . . . . 0.406 ' HA ' HD11 ' D' ' 113' ' ' LEU . 1.2 m -57.67 -33.9 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.903 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . 0.415 ' CD2' ' CG2' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -58.13 -51.24 70.56 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.101 179.014 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . 0.411 ' O ' ' CG2' ' D' ' 116' ' ' VAL . 0.8 OUTLIER -63.92 -38.27 90.45 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.799 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' D' ' 117' ' ' GLN . 5.8 mt -60.88 -43.53 98.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.372 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.94 -52.67 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.466 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 1.8 pp -65.41 -35.66 81.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.35 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.425 HG11 HG12 ' D' ' 86' ' ' ILE . 19.8 t -65.48 -36.52 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 53.6 mt-30 -88.09 -12.81 43.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.847 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -51.56 139.07 21.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.643 0.259 . . . . 0.0 110.568 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -59.09 5.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.75 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -48.74 80.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 111.21 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.9 t80 -55.67 -51.6 66.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -53.03 -41.47 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.8 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.56 ' O ' HG13 ' D' ' 127' ' ' ILE . 0.5 OUTLIER -59.89 -51.83 68.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -179.766 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.47 -49.18 75.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.494 ' CG ' ' CD1' ' D' ' 86' ' ' ILE . 9.5 t80 -55.99 -35.54 66.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -29.48 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.56 HG13 ' O ' ' D' ' 123' ' ' ASN . 13.0 mt -66.4 -50.02 70.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.093 0.473 . . . . 0.0 110.551 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.594 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.2 t-80 -65.07 -44.78 87.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.836 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -55.51 -60.53 3.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.726 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.09 -51.33 70.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.502 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . 0.414 HD11 HG23 ' D' ' 131' ' ' ILE . 72.1 mt -57.28 -45.32 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.179 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.594 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -61.59 -48.33 81.42 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.182 0.515 . . . . 0.0 109.857 179.249 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.419 ' N ' ' CG2' ' D' ' 132' ' ' THR . 85.0 t -55.52 -51.49 57.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.141 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -63.81 -30.77 71.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.988 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.9 ttm -52.86 -54.44 34.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . 0.407 ' HB3' ' CG1' ' D' ' 81' ' ' VAL . 2.5 p-10 -70.44 -37.27 74.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -32.57 70.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -145.68 85.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.896 179.911 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 t30 . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.404 0.145 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.0 -52.28 5.35 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.353 2.036 . . . . 0.0 112.014 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.46 -32.05 25.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.241 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.5 86.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.045 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.79 -53.88 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 2.9 tmmm? -58.67 -41.81 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.596 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.8 tpt -61.3 -44.63 96.89 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -66.53 -35.43 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.344 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.97 -50.27 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.614 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.434 ' HB3' ' CE2' ' A' ' 39' ' ' TYR . 12.6 mt -57.64 -46.6 83.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.046 0.45 . . . . 0.0 109.932 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -28.34 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.76 178.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.3 t -73.13 -40.02 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.773 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.76 -42.09 96.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -41.31 71.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.657 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -63.57 -54.3 38.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' D' ' 109' ' ' ILE . 86.5 mt -52.98 -56.64 14.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.442 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -50.76 -36.47 36.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.885 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.12 -49.7 75.67 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.967 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -31.85 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 0.0 110.598 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 26.1 mt -68.4 -50.35 53.48 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.019 0.437 . . . . 0.0 110.42 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -26.76 63.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.913 179.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.6 -31.66 28.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.464 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -33.15 39.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.257 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.64 19.16 5.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -116.06 81.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.145 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.55 13.15 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.186 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.4 m -78.64 -54.88 5.66 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.491 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.418 ' OE1' ' CD2' ' D' ' 95' ' ' HIS . 2.1 mp0 -67.17 -17.81 65.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.464 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.29 -52.85 15.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.75 -32.75 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.407 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -67.22 -40.08 86.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.161 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.16 -32.12 69.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.602 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -34.46 55.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.956 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.08 -42.26 63.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.539 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.431 ' CD1' HD21 ' D' ' 89' ' ' LEU . 4.7 t80 -71.72 -37.43 70.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.233 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.439 ' CE1' ' HD3' ' A' ' 43' ' ' LYS . 17.8 t80 -65.95 -53.12 43.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.823 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -58.6 -47.89 82.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.454 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 48.9 m -56.83 -48.7 77.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.415 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.47 -38.94 60.52 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.214 0.531 . . . . 0.0 110.247 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 26.5 mtpt -77.93 -29.24 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.345 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.29 135.79 2.42 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.466 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -61.21 -53.34 2.54 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.472 2.114 . . . . 0.0 112.567 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.431 ' CD1' HG12 ' C' ' 57' ' ' ILE . 1.4 mm? -57.52 -55.7 31.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.582 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.464 ' CE1' ' HA ' ' D' ' 125' ' ' PHE . 5.2 t80 -54.96 -48.82 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -55.61 -32.67 63.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -40.36 76.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.6 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.7 mt -64.27 -42.6 95.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.118 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -68.83 -36.55 78.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.887 0.375 . . . . 0.0 110.103 179.525 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -53.94 -52.4 60.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.835 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -45.67 87.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.819 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.406 ' NE2' ' CB ' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -61.08 -33.03 72.69 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.266 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.31 -39.45 94.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.104 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.661 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' C' ' 46' ' ' LEU . 1.9 mt -60.3 -40.48 83.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.308 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -58.91 -44.34 91.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.229 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.25 -39.83 84.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.345 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.93 -41.77 92.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.688 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -50.67 71.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.39 -36.3 83.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.646 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.12 -53.88 53.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.49 89.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.783 0.325 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 m 40.74 71.13 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.869 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.04 138.48 37.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.358 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.404 ' CD1' HG21 ' B' ' 132' ' ' THR . 0.8 OUTLIER -79.38 -160.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.559 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.403 ' CD1' ' HB1' ' C' ' 37' ' ' ALA . 26.7 tp -168.26 -36.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.313 . . . . 0.0 111.102 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 57.59 108.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.52 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' B' ' 90' ' ' PHE . 0.9 OUTLIER -50.82 -25.05 2.97 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.854 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.86 -47.51 80.42 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.333 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -77.34 -34.32 55.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 0.0 109.832 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.481 HD21 HG13 ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.22 -30.54 65.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.542 179.512 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.499 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.9 t80 -72.23 -48.51 42.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.751 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -28.91 70.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.516 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' SER . . . . . 0.4 ' O ' ' CD1' ' B' ' 96' ' ' ILE . 4.9 t -64.51 -53.54 46.42 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.533 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.705 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.4 OUTLIER -58.04 -33.9 69.5 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -59.3 -44.9 92.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.697 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.8 t60 -68.21 -54.13 19.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' B' ' 93' ' ' LEU . 4.9 mt -50.72 -34.33 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.937 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' B' ' 93' ' ' LEU . 0.7 OUTLIER -64.0 -46.59 83.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.66 179.583 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -80.46 -20.07 44.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.366 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 2.0 m -84.26 -33.18 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.436 ' HB3' ' CB ' ' B' ' 105' ' ' SER . 42.4 mt -112.09 76.01 0.95 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -94.46 36.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.161 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.85 16.28 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.999 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m 74.47 -68.47 0.21 Allowed 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -29.7 69.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.128 0.49 . . . . 0.0 109.942 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' B' ' 100' ' ' LEU . 0.4 OUTLIER -72.2 -47.68 48.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.776 179.531 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.442 ' HA ' HD13 ' B' ' 109' ' ' ILE . 5.1 pt20 -62.37 -30.09 70.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.761 0.315 . . . . 0.0 110.572 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.72 -41.02 65.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.459 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . 0.41 ' HB3' ' CG1' ' C' ' 15' ' ' VAL . 35.9 m-20 -70.45 -42.68 71.16 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.456 HG13 ' CD1' ' C' ' 19' ' ' LEU . 5.3 mt -59.72 -49.29 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.491 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 2.3 m -55.57 -35.53 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.817 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -51.34 69.07 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.84 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.4 mt -62.84 -42.52 99.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.3 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' B' ' 93' ' ' LEU . 4.7 mt -57.1 -41.13 78.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.815 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.75 -50.22 73.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.001 0.429 . . . . 0.0 110.428 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.446 ' O ' ' CD1' ' B' ' 121' ' ' PHE . 1.3 mp -61.24 -49.75 75.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.137 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.421 ' CG1' HG12 ' B' ' 86' ' ' ILE . 48.8 t -58.37 -27.55 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.429 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 73.7 mt-30 -98.43 -8.29 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.79 152.69 26.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.708 0.289 . . . . 0.0 110.523 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -59.33 2.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.078 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -43.05 99.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.799 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' PHE . . . . . 0.446 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 12.3 t80 -58.67 -56.01 27.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.58 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -52.26 -36.16 51.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.815 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.434 ' HB3' HG12 ' D' ' 127' ' ' ILE . 4.1 m120 -62.11 -51.24 68.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.22 -47.96 81.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . 0.471 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 2.1 t80 -57.57 -41.31 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.597 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 1.2 mptp? -64.06 -37.21 86.59 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.81 0.338 . . . . 0.0 110.712 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.449 ' CD1' ' CD1' ' D' ' 127' ' ' ILE . 44.4 mt -69.11 -49.74 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . 0.643 ' O ' ' HB ' ' B' ' 132' ' ' THR . 11.6 t-80 -68.41 -32.1 71.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -64.29 -60.81 2.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.79 -52.3 38.73 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' ILE . . . . . 0.419 HG13 ' O ' ' B' ' 127' ' ' ILE . 56.0 mt -53.79 -36.1 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.415 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' THR . . . . . 0.643 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.8 OUTLIER -61.33 -52.09 66.11 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 177.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' VAL . . . . . 0.403 ' N ' HG21 ' B' ' 132' ' ' THR . 14.5 t -52.89 -51.39 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.718 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -64.08 -32.16 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.518 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 33.3 ttm -54.75 -61.91 2.0 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -66.91 -34.97 78.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -60.32 -66.52 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 57.68 72.9 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.83 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.555 0.216 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -61.96 -48.81 7.73 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.511 2.141 . . . . 0.0 112.025 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.18 -29.44 13.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.205 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.79 -33.34 73.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.965 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -63.05 -53.37 54.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -56.71 -41.46 77.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.607 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 6.4 tpt -61.77 -48.21 81.68 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . 0.403 ' NE2' ' CG2' ' C' ' 15' ' ' VAL . 30.6 tp60 -64.78 -31.89 73.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.714 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.71 -56.3 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.533 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.441 HD23 ' HB3' ' C' ' 42' ' ' LEU . 19.7 mt -54.37 -44.35 72.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.214 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -28.63 68.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' B' ' 108' ' ' ASP . 2.1 t -74.0 -37.8 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.91 179.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 74.0 mt -64.44 -37.03 86.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.732 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.8 -41.16 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.83 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -66.03 -54.69 22.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' LEU . . . . . 0.456 ' CD1' HG13 ' B' ' 109' ' ' ILE . 90.4 mt -53.2 -52.54 58.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.141 0.496 . . . . 0.0 110.286 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . 0.465 ' HD3' ' HB2' ' C' ' 35' ' ' LEU . 0.1 OUTLIER -51.5 -44.24 62.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.746 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.62 -44.91 86.14 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.111 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -64.22 -33.48 75.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.518 0.199 . . . . 0.0 111.198 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' C' ' 19' ' ' LEU . 47.5 mt -66.66 -50.49 62.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.944 0.402 . . . . 0.0 110.499 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -26.31 67.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.004 179.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.38 -31.97 29.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.494 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.51 -36.49 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.431 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.65 -19.41 6.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.943 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -73.58 80.67 1.49 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.01 0.433 . . . . 0.0 110.113 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.23 14.94 9.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.882 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 55.3 m -87.33 -44.39 11.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.666 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.445 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 3.7 mm-40 -72.84 -25.04 60.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.577 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' ASN . . . . . 0.406 ' CB ' ' HD2' ' C' ' 20' ' ' ARG . 4.1 m120 -49.89 -41.44 45.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.892 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -59.7 -33.59 71.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.345 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -73.49 -41.85 62.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.344 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.465 ' HB2' ' HD3' ' C' ' 20' ' ' ARG . 2.3 mt -66.8 -32.36 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.646 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -33.03 60.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.237 0.541 . . . . 0.0 109.896 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.403 ' HB1' ' CD1' ' B' ' 84' ' ' LEU . . . -74.37 -47.08 36.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.217 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' PHE . . . . . 0.457 ' CE2' ' CD1' ' C' ' 42' ' ' LEU . 42.8 t80 -63.96 -49.73 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.176 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.472 ' CZ ' ' NZ ' ' C' ' 43' ' ' LYS . 85.2 t80 -54.13 -53.38 54.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.12 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.13 -48.31 79.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 84.8 m -56.03 -38.82 71.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.427 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . 0.457 ' CD1' ' CE2' ' C' ' 38' ' ' PHE . 0.2 OUTLIER -60.94 -41.72 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.143 179.242 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . 0.472 ' NZ ' ' CZ ' ' C' ' 39' ' ' TYR . 0.0 OUTLIER -69.39 -24.2 63.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.0 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.59 133.99 6.19 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.478 -179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.12 -49.13 8.58 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.446 2.098 . . . . 0.0 111.887 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.456 ' CD1' HG12 ' A' ' 57' ' ' ILE . 3.4 mm? -57.71 -54.7 43.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' B' ' 125' ' ' PHE . 3.4 t80 -51.06 -51.14 56.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -55.9 -36.59 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.304 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -40.41 93.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.968 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 1.3 mt -63.98 -41.07 91.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.463 HD22 ' CD1' ' C' ' 47' ' ' PHE . 0.4 OUTLIER -68.77 -37.92 79.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.379 . . . . 0.0 110.17 179.526 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 93.8 m -53.91 -50.7 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.801 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -51.15 70.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.977 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.68 -31.35 69.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.444 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -41.2 98.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.989 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 74.9 m -63.25 -41.76 99.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.622 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . 0.431 HG12 ' CD1' ' A' ' 46' ' ' LEU . 3.3 mt -61.31 -43.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.239 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -40.75 74.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.184 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.88 -41.49 97.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.284 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -45.99 78.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -59.24 -56.52 21.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.66 -38.62 92.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.592 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.38 -45.73 90.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.341 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt -75.26 126.94 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . 0.435 ' O ' ' CG1' ' D' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.579 0.228 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 81' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER -176.55 37.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.068 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.15 156.24 18.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.779 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 83' ' ' ILE . . . . . 0.409 ' CD1' ' CG2' ' D' ' 132' ' ' THR . 0.3 OUTLIER -95.86 -156.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.79 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 84' ' ' LEU . . . . . 0.427 HD21 ' CA ' ' A' ' 38' ' ' PHE . 12.2 tp -168.13 -32.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.364 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 59.36 112.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.783 0.325 . . . . 0.0 110.683 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 86' ' ' ILE . . . . . 0.499 HG13 HD22 ' D' ' 89' ' ' LEU . 0.9 OUTLIER -57.13 -25.42 22.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.527 -179.609 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.21 -46.82 82.22 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.187 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -35.95 55.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.152 0.501 . . . . 0.0 109.821 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . 0.499 HD22 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -71.99 -30.52 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.58 179.659 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 90' ' ' PHE . . . . . 0.483 ' CB ' ' O ' ' D' ' 86' ' ' ILE . 13.6 t80 -72.48 -46.07 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -62.78 -31.61 72.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.572 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 45.1 m -63.44 -53.02 58.81 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.578 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 93' ' ' LEU . . . . . 0.67 ' HA ' HD12 ' D' ' 96' ' ' ILE . 0.6 OUTLIER -56.35 -35.83 68.1 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.446 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 94' ' ' LYS . . . . . 0.415 ' HE3' ' CZ ' ' D' ' 90' ' ' PHE . 26.9 mmtp -58.97 -45.19 91.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.715 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 95' ' ' HIS . . . . . 0.418 ' CD2' ' OE1' ' A' ' 31' ' ' GLN . 2.1 t60 -66.85 -55.5 14.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 96' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' D' ' 93' ' ' LEU . 4.6 mt -50.9 -33.91 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.061 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 97' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' D' ' 93' ' ' LEU . 0.0 OUTLIER -64.41 -52.03 60.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.715 179.62 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -74.4 -21.51 59.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.392 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -82.22 -36.55 27.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.919 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 100' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' D' ' 109' ' ' ILE . 25.2 mt -107.82 77.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.29 37.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.638 -1.165 . . . . 0.0 111.095 -178.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.4 21.14 3.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.866 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.56 -68.61 0.17 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.066 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -59.59 -30.17 68.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.149 0.499 . . . . 0.0 110.02 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 105' ' ' SER . . . . . 0.408 ' CB ' ' HB3' ' D' ' 100' ' ' LEU . 0.4 OUTLIER -71.99 -48.56 43.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.611 179.578 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 106' ' ' GLN . . . . . 0.443 ' HA ' HD12 ' D' ' 109' ' ' ILE . 4.3 pt20 -61.49 -29.91 70.28 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 110.296 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.82 -42.14 70.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.596 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -70.38 -42.19 72.09 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 109' ' ' ILE . . . . . 0.46 HG13 ' CD1' ' A' ' 19' ' ' LEU . 3.8 mt -60.25 -49.26 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.36 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.25 -33.92 65.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.572 179.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.01 -51.26 69.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.707 178.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 112' ' ' LEU . . . . . 0.401 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.4 mt -63.32 -41.77 98.95 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.477 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 113' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' D' ' 117' ' ' GLN . 4.6 mt -58.76 -40.12 83.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.641 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.46 -50.46 72.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 0.0 110.366 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 115' ' ' LEU . . . . . 0.468 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 0.6 OUTLIER -62.31 -50.49 71.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.839 179.076 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 116' ' ' VAL . . . . . 0.459 ' CG1' HG12 ' D' ' 86' ' ' ILE . 58.4 t -58.28 -36.07 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.376 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 117' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 41.1 mt-30 -89.01 -8.73 53.5 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.6 134.53 57.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.734 0.302 . . . . 0.0 110.393 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -59.11 5.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.441 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.07 -45.72 92.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 121' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.6 t80 -57.39 -49.86 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.471 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 122' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 5.9 mt-30 -52.38 -46.02 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.979 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 123' ' ' ASN . . . . . 0.468 ' O ' HG13 ' D' ' 127' ' ' ILE . 30.4 m-20 -59.76 -47.19 86.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 124' ' ' ALA . . . . . 0.406 ' CB ' ' NE2' ' A' ' 54' ' ' GLN . . . -56.42 -45.62 80.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.309 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 125' ' ' PHE . . . . . 0.482 ' CG ' ' CD1' ' D' ' 86' ' ' ILE . 22.1 t80 -59.66 -38.38 81.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 126' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 7.2 mmpt? -63.03 -40.2 97.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.368 . . . . 0.0 110.337 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 127' ' ' ILE . . . . . 0.468 HG13 ' O ' ' D' ' 123' ' ' ASN . 4.6 mt -62.67 -49.8 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 128' ' ' HIS . . . . . 0.737 ' O ' ' HB ' ' D' ' 132' ' ' THR . 21.8 t-80 -64.14 -38.54 91.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.768 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 129' ' ' ASN . . . . . 0.402 ' O ' ' CG2' ' D' ' 133' ' ' VAL . 43.9 t-20 -55.74 -60.87 2.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.62 -52.39 31.9 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 131' ' ' ILE . . . . . 0.427 ' CD1' HG22 ' D' ' 127' ' ' ILE . 57.9 mt -53.82 -37.13 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.78 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 132' ' ' THR . . . . . 0.737 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.77 -52.27 63.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.368 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 133' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' D' ' 129' ' ' ASN . 33.9 t -52.97 -43.93 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.861 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -63.43 -32.14 73.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.224 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -43.03 96.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.58 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -72.62 -40.18 66.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.941 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -49.43 63.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 59.83 85.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.031 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.805 0.336 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.656 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.1 mt-10 -68.07 -51.98 40.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.9 ttpp -59.66 -42.43 92.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.592 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.3 tpt -61.08 -42.7 98.99 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.514 ' NE2' HG23 ' A' ' 15' ' ' VAL . 30.9 tp60 -68.45 -34.61 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.452 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.702 HG22 HD23 ' D' ' 111' ' ' LEU . 35.4 t -60.15 -56.1 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.668 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.916 ' HA ' HD12 ' A' ' 16' ' ' LEU . 15.9 mt -56.35 -42.2 77.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.991 0.424 . . . . 0.0 110.083 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -28.39 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.685 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.806 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.1 t -73.58 -38.15 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.975 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 13' ' ' LEU . 7.6 mt -63.81 -42.63 97.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.743 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.75 -39.68 84.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.396 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -54.22 28.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.767 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.703 HD12 HD11 ' D' ' 112' ' ' LEU . 50.2 mt -53.37 -57.18 11.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.438 . . . . 0.0 110.597 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.695 ' CB ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -52.55 -35.53 53.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.94 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -45.47 96.5 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.944 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -62.47 -41.73 98.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.311 . . . . 0.0 110.84 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.797 HD21 HG23 ' D' ' 96' ' ' ILE . 23.8 mt -58.75 -50.59 73.37 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.038 0.447 . . . . 0.0 110.737 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.525 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -60.78 -28.4 68.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.117 179.311 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.42 -31.37 29.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.784 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.82 -30.94 26.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.261 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.26 22.48 3.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.627 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 46.2 m-20 -114.76 77.69 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.021 0.438 . . . . 0.0 110.31 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.525 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -93.25 36.17 1.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.814 179.553 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.7 m -105.25 -51.21 3.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.158 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.587 ' HB3' HD11 ' D' ' 96' ' ' ILE . 2.3 mp0 -69.99 -17.13 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.162 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -47.8 -42.95 27.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.468 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 2.1 pt-20 -56.82 -32.6 65.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.905 0.383 . . . . 0.0 110.658 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.691 ' HA ' HD21 ' D' ' 84' ' ' LEU . 38.7 mmtm -74.36 -41.47 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.453 . . . . 0.0 110.307 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.695 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.1 mt -70.63 -29.9 66.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.331 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.44 -35.84 53.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.124 0.487 . . . . 0.0 110.382 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.996 ' HB3' HD23 ' D' ' 84' ' ' LEU . . . -80.3 -42.74 22.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.977 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.474 ' CD2' HD21 ' A' ' 16' ' ' LEU . 36.8 t80 -63.09 -50.52 70.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.377 0.608 . . . . 0.0 109.792 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.655 ' CA ' HD13 ' A' ' 16' ' ' LEU . 7.7 t80 -59.51 -53.75 54.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.074 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' HA ' ' HG3' ' A' ' 43' ' ' LYS . 21.8 mm-40 -59.14 -52.23 66.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.99 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.62 HG22 ' CD2' ' A' ' 47' ' ' PHE . 95.0 m -56.01 -34.85 66.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.835 0.35 . . . . 0.0 110.342 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.662 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -63.4 -35.97 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.21 0.529 . . . . 0.0 109.994 178.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 39' ' ' TYR . 1.4 mtmt -72.39 -31.06 65.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.1 t -47.52 126.24 10.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.393 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.58 -29.95 78.74 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.417 2.078 . . . . 0.0 111.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.73 HD11 HD13 ' C' ' 57' ' ' ILE . 0.5 OUTLIER -70.02 -55.15 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.324 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.62 ' CD2' HG22 ' A' ' 41' ' ' THR . 9.7 t80 -58.5 -34.98 71.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.15 0.5 . . . . 0.0 110.006 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -50.69 68.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.167 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.644 ' HG3' HD11 ' C' ' 53' ' ' LEU . 3.3 pt20 -57.26 -33.81 67.98 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.502 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.59 HG12 HD21 ' C' ' 53' ' ' LEU . 1.4 mt -62.2 -52.23 62.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.781 0.324 . . . . 0.0 110.304 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.597 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -62.87 -32.98 74.34 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.222 179.389 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.8 m -53.99 -54.48 38.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.269 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.659 HD21 HG12 ' C' ' 50' ' ' ILE . 0.3 OUTLIER -59.24 -46.03 89.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.222 179.112 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.572 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.1 OUTLIER -58.75 -34.45 71.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.216 179.439 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.43 -38.01 88.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.202 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.9 t -61.1 -45.8 93.23 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.088 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.825 HG12 HD13 ' C' ' 46' ' ' LEU . 29.8 mt -59.49 -40.19 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.108 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.403 ' HA ' ' CG ' ' A' ' 61' ' ' LYS . 5.2 mmtt -61.32 -33.89 74.35 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.903 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -64.09 -39.25 93.65 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -59.44 -61.5 2.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.116 178.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.452 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 0.0 OUTLIER -56.04 -24.24 38.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.215 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.859 -179.77 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.853 0.358 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.618 HD11 HG22 ' B' ' 133' ' ' VAL . 0.2 OUTLIER -90.2 -159.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.619 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.8 ' CD2' HD22 ' B' ' 89' ' ' LEU . 12.1 tp -154.99 -37.34 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.74 107.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.962 HG12 HG13 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -53.11 -25.66 10.1 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.728 -179.193 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.88 -49.66 73.97 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.914 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -34.14 61.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.592 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.8 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.25 -28.97 64.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.465 179.439 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.1 t80 -71.83 -49.75 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 9.4 p -63.08 -26.92 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.521 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 12.1 t -65.24 -52.65 53.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.575 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.744 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -58.33 -38.96 78.19 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.981 0.419 . . . . 0.0 110.155 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -59.5 -40.21 86.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.795 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.412 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.4 t60 -69.49 -52.65 24.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' B' ' 93' ' ' LEU . 12.6 mt -50.8 -42.03 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.97 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.76 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -60.35 -50.94 71.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -80.35 -4.78 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.4 m -97.38 -32.18 12.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.405 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 1.055 HD12 HD11 ' B' ' 109' ' ' ILE . 63.5 mt -91.07 -53.73 4.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.14 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.0 38.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.695 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' B' ' 104' ' ' GLN . 9.2 m-20 -99.65 22.29 11.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.69 -72.52 0.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.693 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -59.14 -30.17 67.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.127 0.489 . . . . 0.0 109.855 179.285 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.861 ' O ' HD12 ' B' ' 109' ' ' ILE . 1.9 m -70.08 -42.48 72.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.551 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -34.69 76.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.959 0.409 . . . . 0.0 110.426 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.0 -41.44 74.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.701 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.77 ' HB3' HG13 ' C' ' 15' ' ' VAL . 25.9 m-20 -70.53 -43.23 70.0 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 1.055 HD11 HD12 ' B' ' 100' ' ' LEU . 4.5 mt -59.74 -49.04 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.392 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.605 ' HA ' HD12 ' B' ' 113' ' ' LEU . 8.3 t -55.78 -36.31 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.966 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.795 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.4 -51.5 68.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.958 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.815 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.1 mt -62.67 -41.86 99.31 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.633 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.7 mt -57.4 -40.69 78.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.607 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -52.29 64.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.543 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.644 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.1 mp -60.07 -49.66 76.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.225 0.535 . . . . 0.0 110.077 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.962 HG13 HG12 ' B' ' 86' ' ' ILE . 96.0 t -55.11 -37.76 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.891 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 41.6 mt-30 -87.59 -11.9 47.24 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.11 127.68 33.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.722 0.296 . . . . 0.0 110.488 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' LYS . . . . . 0.643 ' CE ' ' HB1' ' D' ' 130' ' ' ALA . 0.0 OUTLIER -51.92 -58.71 5.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.563 -179.507 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 120' ' ' ASP . . . . . 0.401 ' HB3' ' HG2' ' C' ' 54' ' ' GLN . 1.7 m-20 -59.59 -48.85 80.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 111.0 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.8 t80 -55.69 -54.57 42.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.615 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -51.75 -36.08 45.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.77 -49.73 75.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.851 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -56.99 -49.28 76.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.188 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.665 ' CD1' HD12 ' B' ' 86' ' ' ILE . 10.0 t80 -63.91 -39.04 93.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.272 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -39.38 90.43 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 110.401 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 1.105 HD11 HD11 ' D' ' 127' ' ' ILE . 6.5 mt -62.83 -49.64 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.563 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.653 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.2 t-80 -60.9 -44.54 96.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.189 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.662 ' O ' HG23 ' B' ' 133' ' ' VAL . 21.8 t-20 -55.33 -60.98 2.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.02 69.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.737 HD12 HG22 ' B' ' 127' ' ' ILE . 55.1 mt -56.7 -43.06 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.398 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.653 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -57.67 -45.35 85.7 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.409 0.623 . . . . 0.0 109.57 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 129' ' ' ASN . 90.6 t -54.88 -46.95 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.384 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -63.73 -31.63 72.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.202 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 135' ' ' MET . . . . . 0.451 ' HE3' ' HA ' ' B' ' 132' ' ' THR . 27.0 ttm -57.75 -55.02 40.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.737 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.843 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.853 0.359 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.841 ' O ' HG23 ' C' ' 12' ' ' VAL . 7.9 mt-10 -67.24 -54.62 19.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.744 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 9.4 ttpt -55.97 -42.65 76.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -46.46 90.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.752 ' O ' HG23 ' C' ' 15' ' ' VAL . 26.4 tp60 -64.78 -34.34 78.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.841 HG23 ' O ' ' C' ' 8' ' ' GLU . 76.7 t -61.48 -50.03 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.846 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.865 ' HA ' HD12 ' C' ' 16' ' ' LEU . 13.8 mt -58.2 -44.93 88.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.402 . . . . 0.0 110.057 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -28.5 68.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.474 178.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.77 HG13 ' HB3' ' B' ' 108' ' ' ASP . 7.1 t -72.26 -37.98 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.823 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.865 HD12 ' HA ' ' C' ' 13' ' ' LEU . 10.5 mt -64.31 -40.92 96.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.838 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -71.07 -37.62 72.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.826 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -67.44 -54.53 19.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.667 HD12 HD11 ' B' ' 112' ' ' LEU . 96.0 mt -54.59 -53.25 57.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.617 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.758 ' N ' HD12 ' C' ' 35' ' ' LEU . 0.2 OUTLIER -55.02 -37.16 66.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.75 -44.4 97.01 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.906 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.502 ' HB3' HD22 ' B' ' 100' ' ' LEU . 6.4 mttm -63.64 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.626 0.25 . . . . 0.0 110.873 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.506 HD21 HG23 ' B' ' 96' ' ' ILE . 34.7 mt -61.64 -50.58 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 110.552 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -27.06 68.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.072 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.69 -32.48 28.06 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.54 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.02 -32.73 39.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.232 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.59 18.91 3.9 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.595 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -113.63 85.86 2.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.959 0.409 . . . . 0.0 110.201 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.714 HG22 ' ND2' ' C' ' 32' ' ' ASN . 0.3 OUTLIER -95.06 27.55 3.15 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.921 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -101.32 -54.99 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.465 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.412 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 2.9 mp0 -70.5 -22.31 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.607 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ASN . . . . . 0.714 ' ND2' HG22 ' C' ' 29' ' ' THR . 35.1 p-10 -51.69 -42.6 62.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.652 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.91 -32.63 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.946 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.401 ' HA ' ' CD1' ' B' ' 84' ' ' LEU . 1.3 mmmm -69.35 -43.12 74.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.22 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.758 HD12 ' N ' ' C' ' 20' ' ' ARG . 1.0 OUTLIER -64.55 -32.53 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.519 179.616 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -39.39 49.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.941 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.652 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -69.08 -38.87 79.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.312 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.487 ' CA ' HD22 ' B' ' 84' ' ' LEU . 2.8 t80 -74.8 -35.18 62.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.246 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.749 ' HA ' HD13 ' C' ' 16' ' ' LEU . 2.5 t80 -68.94 -51.36 40.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.846 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -52.08 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.436 HG22 ' CE2' ' C' ' 47' ' ' PHE . 94.3 m -55.9 -39.06 71.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.876 0.37 . . . . 0.0 110.431 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.58 ' HB3' HD21 ' C' ' 13' ' ' LEU . 0.3 OUTLIER -62.44 -34.93 77.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.164 179.305 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.459 ' CD ' ' CE1' ' C' ' 39' ' ' TYR . 23.9 mtpt -80.08 -28.31 39.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.888 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.14 136.41 1.67 Allowed Pre-proline 0 N--CA 1.465 0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.471 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.67 -61.33 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.602 2.202 . . . . 0.0 112.67 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.825 HD13 HG12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.46 -34.24 68.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.694 ' CE1' HD21 ' C' ' 51' ' ' LEU . 28.5 t80 -62.56 -46.66 87.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.092 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -56.54 -37.5 70.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.885 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.412 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 12.6 mt-30 -61.82 -41.0 97.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.171 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.659 HG12 HD21 ' A' ' 53' ' ' LEU . 2.1 mt -60.51 -42.66 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.508 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.694 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.6 OUTLIER -66.45 -42.81 87.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.371 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 13.0 m -55.73 -39.66 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.202 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.644 HD11 ' HG3' ' A' ' 49' ' ' GLN . 0.5 OUTLIER -62.82 -50.98 68.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.03 179.049 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.599 ' OE1' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -60.0 -34.56 73.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.113 179.243 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.86 -40.57 93.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.219 0.533 . . . . 0.0 109.921 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 11.9 t -61.4 -42.04 98.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.405 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.905 HG21 HG21 ' D' ' 131' ' ' ILE . 3.1 mt -61.45 -36.13 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.059 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -40.94 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.726 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.12 -37.32 87.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.181 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.3 mt -57.31 -48.14 79.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.703 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 61' ' ' LYS . . . . . 0.4 ' HG3' ' HG3' ' D' ' 135' ' ' MET . 2.1 mtpt . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.01 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.954 HD11 HG22 ' D' ' 133' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.174 0.035 . . . . 0.0 111.055 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 0.996 HD23 ' HB3' ' A' ' 37' ' ' ALA . 2.7 tm? -153.59 -40.98 0.09 Allowed 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.54 104.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.664 0.269 . . . . 0.0 110.711 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 1.102 ' HA ' HD23 ' D' ' 89' ' ' LEU . 1.2 mp -64.44 -31.15 52.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -41.19 98.43 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.977 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -38.64 47.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.11 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 1.102 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.0 OUTLIER -72.13 -28.54 63.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.819 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.487 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.1 t80 -72.5 -47.74 46.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 85.3 p -63.79 -29.13 70.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.559 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 92' ' ' SER . . . . . 0.6 ' C ' HD12 ' D' ' 96' ' ' ILE . 8.1 m -64.38 -53.43 48.64 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.795 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.742 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.8 OUTLIER -57.89 -35.18 70.66 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.4 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -59.17 -41.32 88.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.483 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -69.06 -55.95 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.797 HG23 HD21 ' A' ' 23' ' ' LEU . 5.2 mt -51.41 -33.83 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.089 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.587 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.7 OUTLIER -64.13 -49.55 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.977 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -77.46 -22.24 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.053 0.454 . . . . 0.0 110.422 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.14 -33.52 26.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.071 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.702 HD12 HD11 ' D' ' 109' ' ' ILE . 86.1 mt -101.06 86.79 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.27 36.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.23 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.35 12.37 22.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.893 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 4.7 m 69.28 -67.6 0.21 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.855 0.359 . . . . 0.0 111.17 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -36.92 70.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.043 0.449 . . . . 0.0 110.461 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.824 ' O ' HD12 ' D' ' 109' ' ' ILE . 13.2 p -66.07 -38.23 87.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.587 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -61.79 -38.37 87.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.012 0.434 . . . . 0.0 110.192 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.61 -41.29 88.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.817 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.749 ' CG ' HG22 ' A' ' 15' ' ' VAL . 51.9 m-20 -70.03 -42.48 72.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.665 0.745 . . . . 0.0 109.142 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.824 HD12 ' O ' ' D' ' 105' ' ' SER . 3.8 mt -58.91 -49.5 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.461 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.612 ' HA ' HD12 ' D' ' 113' ' ' LEU . 0.7 OUTLIER -56.96 -34.28 67.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.905 179.342 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.702 HD23 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -56.86 -51.41 69.16 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.001 179.091 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.826 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.2 mt -64.34 -41.12 96.93 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' D' ' 110' ' ' SER . 6.0 mt -56.97 -42.27 79.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.669 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -63.68 -50.37 69.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.62 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.613 HD21 HG21 ' A' ' 12' ' ' VAL . 3.1 mp -59.59 -47.88 83.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.434 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.826 HG23 ' O ' ' D' ' 112' ' ' LEU . 60.2 t -59.35 -39.92 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.713 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 57.6 mt-30 -83.52 -11.45 57.41 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 118' ' ' ASN . . . . . 0.406 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.2 OUTLIER -58.89 127.9 34.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.783 0.325 . . . . 0.0 110.566 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -58.42 6.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.441 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -49.99 75.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.998 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.3 t80 -55.84 -50.37 70.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -38.68 64.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.55 ' O ' HG13 ' D' ' 127' ' ' ILE . 34.6 m-20 -64.39 -52.24 59.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 111.136 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.572 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -57.07 -48.99 77.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.223 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.58 ' CG ' HD11 ' D' ' 86' ' ' ILE . 1.7 t80 -55.33 -40.29 71.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -62.16 -36.3 81.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.162 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 1.105 HD11 HD11 ' B' ' 127' ' ' ILE . 9.7 mt -60.92 -49.57 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.578 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.599 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.7 t-80 -65.75 -29.02 69.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.095 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.816 ' O ' HG23 ' D' ' 133' ' ' VAL . 33.9 m-20 -65.6 -61.27 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 130' ' ' ALA . . . . . 0.643 ' HB1' ' CE ' ' B' ' 119' ' ' LYS . . . -65.89 -52.17 52.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.478 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.905 HG21 HG21 ' C' ' 57' ' ' ILE . 48.8 mt -53.74 -35.8 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 110.449 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.599 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -61.73 -48.74 79.34 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.607 0.718 . . . . 0.0 109.328 178.158 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.954 HG22 HD11 ' D' ' 83' ' ' ILE . 15.5 t -53.12 -51.16 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.966 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.49 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.068 0.461 . . . . 0.0 110.104 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 135' ' ' MET . . . . . 0.4 ' HG3' ' HG3' ' C' ' 61' ' ' LYS . 20.6 ttm . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.948 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.906 0.384 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.748 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.2 mm-40 -63.08 -55.37 26.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 12.3 ttpp -58.52 -44.82 89.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.626 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -43.0 99.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.897 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.4 tp60 -69.79 -30.71 68.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.75 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 8' ' ' GLU . 32.9 t -63.46 -56.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.502 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.817 ' HA ' HD12 ' A' ' 16' ' ' LEU . 17.1 mt -57.17 -42.74 81.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.156 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -28.18 67.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.561 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.814 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.4 t -74.44 -40.51 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.943 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 13' ' ' LEU . 8.8 mt -62.38 -38.9 91.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.822 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.59 -40.29 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -54.7 24.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.707 HD12 HD11 ' D' ' 112' ' ' LEU . 94.2 mt -55.18 -54.93 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.139 0.495 . . . . 0.0 110.319 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.804 ' HA ' HD12 ' A' ' 23' ' ' LEU . 3.5 tmm_? -51.12 -37.26 44.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.145 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.94 -47.56 87.78 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.085 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.665 ' HB3' HD22 ' D' ' 100' ' ' LEU . 1.5 mttm -59.46 -31.87 69.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.849 0.357 . . . . 0.0 110.555 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 20' ' ' ARG . 33.5 mt -66.57 -50.52 62.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.577 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -27.03 64.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.948 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -82.35 -30.48 30.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.343 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.811 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.6 OUTLIER -81.1 -39.62 25.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.475 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.67 -16.34 6.21 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.091 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 8.4 m-20 -97.91 74.14 2.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.9 t -90.23 12.16 18.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.5 m -70.52 -33.68 71.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.5 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.779 ' HB3' HD11 ' D' ' 96' ' ' ILE . 14.7 mm-40 -75.69 -11.53 60.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.494 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.443 ' HB3' ' HD3' ' A' ' 20' ' ' ARG . 7.4 m-20 -57.91 -39.46 78.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.431 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -56.91 -35.77 69.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.866 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.719 ' HG3' HD12 ' D' ' 84' ' ' LEU . 0.0 OUTLIER -66.23 -55.81 14.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.758 0.79 . . . . 0.0 109.707 179.041 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.699 HD12 ' HB2' ' A' ' 20' ' ' ARG . 1.9 mt -58.59 -29.97 66.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.288 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.5 p -76.95 -34.18 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.05 0.452 . . . . 0.0 110.397 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' D' ' 84' ' ' LEU . . . -76.12 -42.49 46.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.951 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CE1' HD11 ' A' ' 42' ' ' LEU . 3.0 t80 -71.53 -45.92 61.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.103 0.478 . . . . 0.0 110.402 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.638 ' HA ' HD13 ' A' ' 16' ' ' LEU . 37.9 t80 -58.29 -53.9 53.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.086 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.51 -48.76 76.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.602 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.435 HG22 ' CD2' ' A' ' 47' ' ' PHE . 54.5 m -52.95 -34.54 56.14 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.709 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -69.35 -32.2 71.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.66 178.532 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.669 ' CE ' HD13 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -67.41 -31.38 71.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.692 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -49.57 133.16 19.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.475 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.81 -37.55 5.02 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.472 2.115 . . . . 0.0 111.982 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.775 HD11 ' CG1' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -66.68 -49.58 65.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.993 179.486 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' A' ' 41' ' ' THR . 27.3 t80 -59.45 -44.05 93.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.258 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -56.78 -38.99 73.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.231 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -60.77 -42.96 98.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.054 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.703 HG12 HD21 ' C' ' 53' ' ' LEU . 3.2 mt -57.93 -51.99 63.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.569 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.601 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -57.38 -40.23 77.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.368 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.9 m -53.45 -46.61 69.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.829 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.69 HD11 HG12 ' C' ' 50' ' ' ILE . 0.8 OUTLIER -59.84 -38.81 83.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.539 178.628 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.582 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.5 OUTLIER -61.86 -37.28 83.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.946 178.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -62.3 -40.07 95.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.228 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 t -60.54 -50.09 74.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.211 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.869 HG21 HG21 ' B' ' 131' ' ' ILE . 64.6 mt -59.77 -35.98 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.27 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -58.3 -44.41 88.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.273 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -39.55 95.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.246 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.506 ' CD1' HD22 ' C' ' 46' ' ' LEU . 3.0 mt -56.93 -41.34 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.767 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -64.92 -52.66 55.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.626 0.25 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.77 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.6 OUTLIER -88.01 -36.99 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.042 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.827 HD21 HD22 ' B' ' 89' ' ' LEU . 9.2 tp 70.21 -52.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.947 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.01 115.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.923 HG12 HG13 ' B' ' 116' ' ' VAL . 1.3 mt -54.21 -24.63 11.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.705 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.02 -44.47 84.62 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.954 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.43 -34.22 36.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.658 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.827 HD22 HD21 ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.28 -31.76 66.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.235 179.277 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 19.2 t80 -72.28 -50.03 30.21 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.973 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -29.94 70.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.423 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' SER . . . . . 0.442 ' C ' HD12 ' B' ' 96' ' ' ILE . 45.4 m -63.58 -51.65 64.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.335 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.772 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -56.63 -37.18 70.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.558 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -59.46 -41.11 88.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.573 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.401 ' O ' ' N ' ' B' ' 99' ' ' THR . 0.9 OUTLIER -68.86 -53.47 21.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.248 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.659 HG23 HD21 ' C' ' 23' ' ' LEU . 7.7 mt -52.04 -38.37 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.874 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.902 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -64.08 -49.41 72.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.742 179.637 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -82.66 -1.04 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.43 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' THR . . . . . 0.401 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -101.53 -33.69 9.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.493 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.782 HD12 HD11 ' B' ' 109' ' ' ILE . 45.7 mt -91.22 -55.46 3.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.245 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.94 36.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.719 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.1 27.04 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.543 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.99 -73.58 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.693 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' GLN . . . . . 0.509 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -60.08 -27.39 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.251 0.548 . . . . 0.0 109.658 179.05 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.783 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -73.16 -47.42 43.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.408 179.092 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -66.69 -31.05 71.47 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.971 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' B' ' 104' ' ' GLN . 5.5 pt-20 -74.04 -39.34 63.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.133 0.492 . . . . 0.0 109.98 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.755 ' CG ' HG22 ' C' ' 15' ' ' VAL . 19.5 m-20 -70.91 -43.26 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.902 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.7 mt -59.29 -49.3 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.537 178.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.687 ' HA ' HD12 ' B' ' 113' ' ' LEU . 0.5 OUTLIER -54.54 -39.0 67.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.121 179.617 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.525 HD23 HG22 ' C' ' 12' ' ' VAL . 0.5 OUTLIER -56.72 -51.11 70.08 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.278 179.017 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.886 HD21 HG11 ' C' ' 15' ' ' VAL . 1.0 OUTLIER -60.37 -39.62 87.89 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.646 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' B' ' 110' ' ' SER . 4.6 mt -60.74 -41.37 95.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.999 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.85 -53.07 60.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.804 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.57 HD22 HG21 ' C' ' 12' ' ' VAL . 0.9 OUTLIER -64.9 -35.2 80.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.559 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.923 HG13 HG12 ' B' ' 86' ' ' ILE . 49.3 t -69.09 -40.64 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.292 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 51.7 mt-30 -81.45 -13.02 58.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.91 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -53.01 123.05 10.59 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.639 0.257 . . . . 0.0 110.401 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -49.14 -59.43 3.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.61 -50.28 74.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.774 0.321 . . . . 0.0 111.005 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 6.1 t80 -56.25 -52.29 64.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.619 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -49.83 -38.06 33.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' ASN . . . . . 0.457 ' O ' HG13 ' B' ' 127' ' ' ILE . 3.8 m-20 -65.89 -48.69 70.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.655 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.621 ' HB2' ' OE1' ' C' ' 54' ' ' GLN . . . -56.96 -49.63 75.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.662 ' CD1' HD12 ' B' ' 86' ' ' ILE . 26.2 t80 -59.76 -34.86 73.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.566 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -31.86 72.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.374 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.656 HD11 ' CD1' ' D' ' 127' ' ' ILE . 7.8 mt -67.01 -49.68 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.374 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.699 ' O ' ' HB ' ' B' ' 132' ' ' THR . 23.7 t-80 -69.92 -37.61 75.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.599 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.903 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.0 OUTLIER -55.46 -60.65 3.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.724 -179.377 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.71 -49.04 72.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.663 0.268 . . . . 0.0 111.541 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.869 HG21 HG21 ' A' ' 57' ' ' ILE . 79.3 mt -56.74 -41.63 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.151 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.77 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.4 OUTLIER -61.28 -43.78 98.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.164 0.507 . . . . 0.0 109.704 179.031 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.903 HG23 ' O ' ' B' ' 129' ' ' ASN . 46.7 t -52.94 -51.01 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.754 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.3 -30.78 71.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.495 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 11.1 ttm -57.46 -61.93 2.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.863 0.363 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.519 ' O ' HG23 ' C' ' 12' ' ' VAL . 5.3 mm-40 -60.79 -36.14 78.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.426 ' O ' ' HB ' ' C' ' 12' ' ' VAL . 3.0 tptm -64.78 -48.99 72.46 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 6.4 mmt -61.81 -36.02 79.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.637 ' NE2' HG21 ' C' ' 15' ' ' VAL . 7.6 tm0? -70.92 -34.65 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.566 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.57 HG21 HD22 ' B' ' 115' ' ' LEU . 2.5 t -58.93 -51.28 74.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.426 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.916 ' HA ' HD12 ' C' ' 16' ' ' LEU . 16.0 mt -60.74 -45.07 95.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.959 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -28.56 69.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.662 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.886 HG11 HD21 ' B' ' 112' ' ' LEU . 2.5 t -73.69 -36.73 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.902 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' C' ' 13' ' ' LEU . 11.6 mt -64.17 -40.57 96.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.51 -40.39 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -54.07 31.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.948 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.751 HD12 HD11 ' B' ' 112' ' ' LEU . 75.2 mt -54.98 -57.63 10.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.79 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.77 ' HB3' HD12 ' C' ' 35' ' ' LEU . 1.1 ppt_? -55.09 -30.52 59.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.74 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.93 -46.85 88.13 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.812 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.709 ' HB3' HD22 ' B' ' 100' ' ' LEU . 2.2 mttp -61.49 -37.44 83.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 110.564 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.659 HD21 HG23 ' B' ' 96' ' ' ILE . 26.7 mt -62.93 -50.19 71.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.982 0.42 . . . . 0.0 110.366 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.543 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -58.99 -27.97 65.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.063 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.32 -32.51 29.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.592 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -81.27 -31.06 33.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.176 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.23 21.52 3.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.632 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.44 81.93 1.7 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.874 0.368 . . . . 0.0 110.179 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.543 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -92.4 15.67 13.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.248 179.77 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 20.1 m -88.78 -43.31 11.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.396 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.455 ' HB2' HD13 ' C' ' 23' ' ' LEU . 7.6 mp0 -76.33 -26.67 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.789 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -51.45 -42.38 61.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.726 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.94 -32.64 66.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.133 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -72.57 -44.15 62.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.176 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.2 mt -64.37 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.48 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 m -77.16 -33.84 56.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.206 0.527 . . . . 0.0 109.965 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.722 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.24 -44.65 62.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.544 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.697 ' CE2' HD11 ' C' ' 42' ' ' LEU . 24.5 t80 -70.35 -44.32 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.36 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.655 ' HA ' HD13 ' C' ' 16' ' ' LEU . 22.7 t80 -58.86 -53.67 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.029 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.443 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 6.3 mm-40 -58.94 -48.11 82.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.665 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.83 HG22 ' CD2' ' C' ' 47' ' ' PHE . 60.2 m -57.85 -40.64 80.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.505 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.697 HD11 ' CE2' ' C' ' 38' ' ' PHE . 1.7 mt -61.42 -32.79 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.213 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.477 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -72.41 -32.77 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.739 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -46.82 122.35 7.22 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.209 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.35 -37.65 59.36 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.513 2.142 . . . . 0.0 112.134 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.744 HD11 ' CG1' ' A' ' 57' ' ' ILE . 1.5 tp -64.76 -55.02 22.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.191 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.83 ' CD2' HG22 ' C' ' 41' ' ' THR . 11.4 t80 -58.03 -42.15 84.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.323 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.92 -38.68 70.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.166 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.445 ' HB3' HD12 ' A' ' 53' ' ' LEU . 1.7 mp0 -63.95 -40.55 96.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.092 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.69 HG12 HD11 ' A' ' 53' ' ' LEU . 3.9 mt -59.32 -47.75 89.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.764 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.821 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.5 OUTLIER -67.87 -42.8 80.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.385 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 68.4 m -55.18 -39.7 69.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.996 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.703 HD21 HG12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -63.14 -49.33 74.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.999 179.073 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.621 ' OE1' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -58.97 -35.5 73.27 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.125 179.18 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -62.99 -37.97 89.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.045 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -52.72 63.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.071 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.775 ' CG1' HD11 ' A' ' 46' ' ' LEU . 56.5 mt -60.05 -41.62 86.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.178 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -35.39 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.94 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -66.25 -40.39 90.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.036 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -56.9 -45.1 82.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.44 179.36 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.856 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.718 HD11 HG22 ' D' ' 133' ' ' VAL . 1.1 pt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.661 0.267 . . . . 0.0 110.581 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 0.719 HD12 ' HG3' ' A' ' 34' ' ' LYS . 2.4 pt? -157.92 -0.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 85' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.0 OUTLIER 58.75 143.15 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.897 0.38 . . . . 0.0 110.899 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.862 HG23 ' CG1' ' D' ' 116' ' ' VAL . 0.8 OUTLIER -70.3 -36.75 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.365 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -38.38 88.55 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.649 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -43.92 32.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.782 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.726 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -72.81 -28.26 62.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.827 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 25.6 t80 -70.37 -43.86 69.27 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 6.6 t -62.69 -34.88 78.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 92' ' ' SER . . . . . 0.825 ' C ' HD12 ' D' ' 96' ' ' ILE . 0.6 OUTLIER -62.89 -53.08 59.62 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.66 179.215 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.741 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -53.77 -36.19 62.12 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -59.43 -45.22 92.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -66.37 -56.15 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.825 HD12 ' C ' ' D' ' 92' ' ' SER . 4.2 mt -50.9 -34.51 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.192 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.789 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.3 OUTLIER -66.89 -48.51 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 179.774 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -76.66 -19.21 58.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.45 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -84.81 -37.56 20.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.949 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.829 HD12 HD11 ' D' ' 109' ' ' ILE . 44.4 mt -100.1 84.29 2.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.04 36.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.24 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -91.1 16.41 9.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.28 -68.34 0.19 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.211 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -57.45 -33.72 68.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.123 0.487 . . . . 0.0 110.415 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.831 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.2 OUTLIER -68.08 -41.39 81.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.596 179.591 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -34.1 74.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.059 0.457 . . . . 0.0 110.139 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -42.26 76.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.805 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.774 ' HB3' HG13 ' A' ' 15' ' ' VAL . 58.1 m-20 -70.23 -41.81 73.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.613 0.72 . . . . 0.0 109.086 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.831 HD12 ' O ' ' D' ' 105' ' ' SER . 4.3 mt -60.69 -49.33 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.502 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.622 ' HA ' HD12 ' D' ' 113' ' ' LEU . 56.6 m -56.84 -33.54 66.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.107 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.433 ' HA ' ' HG2' ' D' ' 114' ' ' GLN . 0.4 OUTLIER -59.71 -51.44 69.78 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.969 179.228 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.825 ' O ' HG23 ' D' ' 116' ' ' VAL . 4.0 mt -60.16 -43.92 95.42 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' D' ' 110' ' ' SER . 4.0 mt -57.25 -46.45 83.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.347 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 114' ' ' GLN . . . . . 0.575 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -60.95 -38.6 86.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.841 -179.811 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.582 HD21 HG21 ' A' ' 12' ' ' VAL . 6.1 mp -67.11 -44.23 80.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.862 ' CG1' HG23 ' D' ' 86' ' ' ILE . 71.1 t -58.87 -53.22 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.319 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -64.39 -25.1 67.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.224 -179.643 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 118' ' ' ASN . . . . . 0.402 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.4 OUTLIER -52.8 125.51 17.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 110.699 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -58.16 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.579 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 120' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 3.6 m-20 -56.13 -50.33 71.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.149 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.1 t80 -56.44 -56.21 23.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.486 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 122' ' ' GLN . . . . . 0.491 ' HG2' HD13 ' D' ' 86' ' ' ILE . 4.3 tt0 -50.97 -33.73 25.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.618 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.455 ' HB3' ' CD1' ' B' ' 127' ' ' ILE . 16.8 m-20 -68.42 -46.36 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.031 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.582 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -59.1 -49.43 77.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.487 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.685 ' HZ ' HD23 ' D' ' 84' ' ' LEU . 14.3 t80 -64.01 -34.7 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.704 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -35.03 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.496 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 0.656 ' CD1' HD11 ' B' ' 127' ' ' ILE . 55.4 mt -72.38 -49.73 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.002 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.669 ' O ' ' HB ' ' D' ' 132' ' ' THR . 3.7 t-80 -67.59 -36.53 81.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.891 ' O ' HG23 ' D' ' 133' ' ' VAL . 2.5 t30 -66.56 -60.11 3.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.3 65.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.69 HG21 ' CG2' ' C' ' 57' ' ' ILE . 70.1 mt -54.53 -45.67 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.401 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.669 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -57.18 -44.29 83.4 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.315 0.579 . . . . 0.0 109.746 179.1 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.891 HG23 ' O ' ' D' ' 129' ' ' ASN . 46.4 t -57.29 -44.73 84.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.659 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -33.09 74.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.998 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 135' ' ' MET . . . . . 0.45 ' HE2' ' HB2' ' D' ' 135' ' ' MET . 13.7 ttm . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.547 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.918 0.39 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.852 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -68.19 -54.03 20.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.6 tttp -54.83 -43.29 72.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.982 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.64 -48.28 81.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.994 0.426 . . . . 0.0 109.865 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.57 ' NE2' HG23 ' A' ' 15' ' ' VAL . 30.3 tp60 -64.06 -31.9 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.671 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 8' ' ' GLU . 57.9 t -61.21 -55.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.453 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 42' ' ' LEU . 16.1 mt -54.01 -44.25 70.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.019 0.438 . . . . 0.0 110.031 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -28.61 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.604 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.834 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.2 t -73.87 -37.11 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.874 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.58 ' CD2' HD13 ' D' ' 112' ' ' LEU . 61.4 mt -64.05 -40.8 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.614 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -68.07 -44.1 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.827 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -54.5 40.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.026 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.68 HD22 HD12 ' D' ' 100' ' ' LEU . 71.7 mt -52.96 -56.53 15.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.437 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.447 ' CA ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -48.76 -37.85 20.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.974 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.78 -51.21 60.07 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.099 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.751 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.2 OUTLIER -57.35 -34.91 69.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 111.157 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.802 HD23 HD21 ' D' ' 100' ' ' LEU . 21.8 mt -66.59 -50.34 63.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -27.69 64.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.398 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.75 -36.68 25.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.138 0.494 . . . . 0.0 110.223 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -76.01 -32.13 59.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.316 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.41 21.23 5.57 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.553 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 2.7 m-20 -112.85 81.12 1.44 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.05 0.452 . . . . 0.0 109.98 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.85 21.25 6.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.209 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 m -93.69 -44.29 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.491 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.631 ' HB3' HD11 ' D' ' 96' ' ' ILE . 5.5 mp0 -73.21 -25.6 60.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.544 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -48.69 -40.37 27.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.703 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.01 -32.93 68.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.073 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -74.91 -41.22 60.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.175 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.678 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -67.16 -34.88 78.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.228 179.485 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -75.87 -35.52 59.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.676 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.018 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.16 -41.93 73.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.131 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 3.0 t80 -71.47 -51.05 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.505 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.477 ' CE2' ' HD3' ' A' ' 43' ' ' LYS . 80.6 t80 -54.0 -54.3 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.539 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.3 -52.2 66.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.498 HG22 ' CD2' ' A' ' 47' ' ' PHE . 85.0 m -58.62 -36.09 73.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.944 0.402 . . . . 0.0 110.476 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.575 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -62.32 -32.22 72.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.115 179.115 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HD3' ' CE2' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -78.32 -30.61 48.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.298 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -43.42 140.34 2.28 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.667 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.33 -44.9 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.616 2.211 . . . . 0.0 112.403 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.4 OUTLIER -59.1 -55.21 37.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.153 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CE1' HD21 ' A' ' 51' ' ' LEU . 11.9 t80 -56.94 -40.28 76.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -57.43 -44.46 84.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.506 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -58.16 -38.9 77.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.263 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.444 HG12 HD21 ' C' ' 53' ' ' LEU . 4.3 mt -61.83 -52.49 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.909 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.625 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.58 -35.42 80.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.9 m -53.59 -50.19 66.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.285 0.564 . . . . 0.0 109.706 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.821 HD21 HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -58.89 -45.19 90.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.407 178.481 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.726 HE21 ' HB2' ' D' ' 124' ' ' ALA . 5.6 mm-40 -60.98 -31.8 71.38 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.799 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -61.04 -42.92 99.38 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.662 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -43.78 96.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.523 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.914 HG21 HG21 ' B' ' 131' ' ' ILE . 62.0 mt -60.24 -38.29 76.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.793 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -38.9 80.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.929 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.45 -40.03 94.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.272 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.4 mt -55.22 -50.33 69.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.579 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -60.37 -42.59 96.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.419 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.725 0.298 . . . . 0.0 110.706 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.646 HG22 ' ND2' ' B' ' 129' ' ' ASN . 0.2 OUTLIER -92.92 -54.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.401 . . . . 0.0 110.892 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 1.045 HD13 ' HB3' ' C' ' 37' ' ' ALA . 2.8 tp 62.49 52.68 2.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 84' ' ' LEU . 5.1 mm-40 -37.39 126.12 1.05 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.645 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.916 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -49.44 -27.43 2.74 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.651 -179.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.54 -40.81 96.27 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.246 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -37.96 33.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.143 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.899 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.2 -28.88 63.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.319 179.399 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 50.6 t80 -72.5 -50.0 29.0 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -28.92 69.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' SER . . . . . 0.521 ' HA ' ' NE2' ' C' ' 31' ' ' GLN . 28.7 t -63.57 -53.44 51.74 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.456 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.805 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.4 OUTLIER -58.84 -34.08 71.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -59.73 -42.96 94.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.438 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' B' ' 99' ' ' THR . 0.6 OUTLIER -68.33 -52.85 28.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.239 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.753 HG23 HD21 ' C' ' 23' ' ' LEU . 9.6 mt -51.68 -39.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.994 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.859 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -62.44 -51.93 65.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -80.2 -4.6 53.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.418 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' THR . . . . . 0.402 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -96.76 -33.54 11.66 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.41 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.949 HD12 HD11 ' B' ' 109' ' ' ILE . 27.1 mt -90.96 -57.9 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.165 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.81 36.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.778 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -96.61 26.03 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.629 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' B' ' 106' ' ' GLN . 0.5 OUTLIER 66.51 -72.42 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.59 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -61.81 -29.11 69.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.153 0.502 . . . . 0.0 109.668 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.761 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -72.28 -46.32 56.31 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.76 179.337 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 106' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' B' ' 103' ' ' SER . 4.2 pt20 -63.77 -30.4 71.5 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.587 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -40.98 66.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 0.0 110.256 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.777 ' CG ' HG22 ' C' ' 15' ' ' VAL . 49.7 m-20 -70.67 -42.34 70.88 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.949 HD11 HD12 ' B' ' 100' ' ' LEU . 5.7 mt -60.73 -49.38 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.492 178.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.633 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.3 m -56.35 -34.89 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.095 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.539 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -58.56 -51.56 69.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.211 179.11 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.89 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.4 mt -61.18 -43.04 99.5 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' B' ' 110' ' ' SER . 4.4 mt -56.35 -49.74 73.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.681 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.422 ' HA ' ' CG ' ' B' ' 117' ' ' GLN . 6.3 mt-30 -60.93 -44.0 97.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.62 ' CD2' HG21 ' C' ' 12' ' ' VAL . 3.0 mp -60.31 -41.45 93.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.737 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.916 HG13 HG12 ' B' ' 86' ' ' ILE . 64.5 t -65.09 -53.6 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.534 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 113' ' ' LEU . 0.1 OUTLIER -65.54 -16.32 63.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.85 -179.28 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.43 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 0.3 OUTLIER -54.95 131.54 44.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.824 0.345 . . . . 0.0 110.642 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.36 -58.69 7.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.59 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.52 -48.64 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' B' ' 115' ' ' LEU . 12.2 t80 -55.74 -53.26 58.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.57 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.419 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 1.4 mt-30 -49.76 -40.18 40.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.383 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -59.95 -45.67 91.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.878 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -61.31 -43.82 98.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.519 ' CB ' HD11 ' B' ' 86' ' ' ILE . 3.5 t80 -64.41 -36.54 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.203 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 126' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 2.9 mmtt -68.26 -40.79 81.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.993 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 1.132 HD11 HD11 ' D' ' 127' ' ' ILE . 6.1 mt -60.92 -49.92 82.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.097 0.475 . . . . 0.0 110.607 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.727 ' O ' ' HB ' ' B' ' 132' ' ' THR . 28.0 t-80 -69.55 -35.37 75.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.449 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.871 ' O ' HG23 ' B' ' 133' ' ' VAL . 9.7 t-20 -55.36 -60.48 3.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.579 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.82 -49.74 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.627 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.914 HG21 HG21 ' A' ' 57' ' ' ILE . 81.8 mt -56.74 -47.11 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.237 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.727 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -55.51 -47.81 75.65 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.316 0.579 . . . . 0.0 109.563 179.092 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.871 HG23 ' O ' ' B' ' 129' ' ' ASN . 63.3 t -55.27 -48.28 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.464 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.14 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 135' ' ' MET . . . . . 0.484 ' HE2' HG22 ' B' ' 131' ' ' ILE . 0.0 OUTLIER -66.4 -44.23 83.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.514 179.757 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 40.8 t30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.9 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.802 ' O ' HG23 ' C' ' 12' ' ' VAL . 3.8 mt-10 -62.96 -49.03 76.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 7.0 ttpt -58.5 -43.3 89.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 2.4 mmt -61.02 -45.05 96.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.862 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.5 ' NE2' HG23 ' C' ' 15' ' ' VAL . 31.8 tp60 -67.46 -33.78 75.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.5 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.802 HG23 ' O ' ' C' ' 8' ' ' GLU . 50.8 t -62.71 -52.58 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.819 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.71 ' HA ' HD12 ' C' ' 16' ' ' LEU . 13.6 mt -58.11 -40.69 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.384 . . . . 0.0 110.14 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -28.53 64.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.684 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.807 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.1 t -72.23 -41.0 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.767 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.723 HD13 ' HA ' ' C' ' 39' ' ' TYR . 5.5 mt -64.07 -41.46 97.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.643 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.49 -40.88 96.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.532 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -69.7 -54.45 13.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.729 HD12 HD11 ' B' ' 112' ' ' LEU . 77.1 mt -54.37 -55.45 28.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.13 0.491 . . . . 0.0 110.337 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.653 ' N ' HD12 ' C' ' 35' ' ' LEU . 4.1 tmm_? -52.37 -41.02 62.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.139 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.26 97.28 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.196 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.483 ' HB3' HD22 ' B' ' 100' ' ' LEU . 2.4 mttm -66.98 -32.55 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.946 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.753 HD21 HG23 ' B' ' 96' ' ' ILE . 41.6 mt -67.73 -50.77 55.6 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.17 0.509 . . . . 0.0 110.168 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -26.67 68.88 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.177 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.99 -34.84 26.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.625 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.444 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.3 OUTLIER -79.33 -29.29 42.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.434 -179.591 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.37 14.25 4.99 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.708 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -108.05 79.82 1.31 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.977 0.418 . . . . 0.0 109.953 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.77 23.7 4.61 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.202 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.9 m -102.43 -54.58 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.124 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.521 ' NE2' ' HA ' ' B' ' 92' ' ' SER . 8.0 mm100 -74.84 -21.11 59.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.548 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ASN . . . . . 0.499 ' HA ' ' HG2' ' C' ' 20' ' ' ARG . 1.4 p-10 -55.26 -34.24 63.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.038 0.447 . . . . 0.0 110.272 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -32.9 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.57 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -65.17 -44.64 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.739 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.653 HD12 ' N ' ' C' ' 20' ' ' ARG . 2.2 mt -62.78 -31.97 73.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.456 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 50.2 m -75.77 -34.64 60.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.924 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 1.045 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -71.82 -45.73 60.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.355 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.762 ' CE2' HD11 ' C' ' 42' ' ' LEU . 51.3 t80 -66.61 -50.96 61.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.175 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.723 ' HA ' HD13 ' C' ' 16' ' ' LEU . 8.7 t80 -54.95 -53.7 52.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.063 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.505 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 2.0 mt-10 -57.96 -48.8 78.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.772 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.661 HG22 ' CD2' ' C' ' 47' ' ' PHE . 91.3 m -53.77 -39.9 65.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.302 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.762 HD11 ' CE2' ' C' ' 38' ' ' PHE . 4.5 mt -63.66 -33.56 75.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.202 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.505 ' HG3' ' HA ' ' C' ' 40' ' ' GLU . 3.0 mmmt -69.99 -29.6 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.759 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -45.76 133.95 6.5 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.264 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.03 -47.53 2.36 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.501 2.134 . . . . 0.0 112.178 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.714 HD11 HD11 ' A' ' 57' ' ' ILE . 2.1 tp -62.73 -52.06 64.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.226 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.661 ' CD2' HG22 ' C' ' 41' ' ' THR . 13.2 t80 -55.39 -43.51 75.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.512 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -57.15 -39.59 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.319 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.27 -37.72 88.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.501 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.821 HG12 HD21 ' A' ' 53' ' ' LEU . 3.3 mt -61.7 -46.49 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.469 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.616 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -64.35 -39.58 94.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.082 179.619 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 26.5 m -53.72 -46.58 70.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.985 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.444 HD21 HG12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -60.21 -45.1 94.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.797 178.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.59 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.3 OUTLIER -59.47 -35.94 75.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.262 179.224 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -63.12 -39.2 94.0 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.138 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 45.8 t -60.81 -46.45 90.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.867 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.878 HG21 HG21 ' D' ' 131' ' ' ILE . 7.5 mt -60.93 -35.25 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.12 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -60.14 -40.61 90.41 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.751 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.8 -43.59 98.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.959 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -51.12 -50.94 57.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.508 179.274 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.733 HD11 HG22 ' D' ' 133' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.61 0.243 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 1.018 HD13 ' HB3' ' A' ' 37' ' ' ALA . 56.9 tp -157.68 -39.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 111.306 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.26 100.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.044 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.941 HG12 HG13 ' D' ' 116' ' ' VAL . 0.8 OUTLIER -49.99 -24.96 2.13 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.7 -179.166 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.37 -48.98 77.37 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.85 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -74.69 -36.26 62.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.757 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.722 HD23 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -70.57 -28.75 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.618 179.601 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.593 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.1 t80 -71.86 -48.95 42.39 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 27.1 t -62.0 -28.96 69.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.697 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 92' ' ' SER . . . . . 0.777 ' C ' HD12 ' D' ' 96' ' ' ILE . 2.3 t -64.71 -53.54 45.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.818 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.775 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -57.83 -37.71 74.33 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.849 0.357 . . . . 0.0 110.304 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -59.22 -43.24 92.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.822 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 95' ' ' HIS . . . . . 0.493 ' CE1' ' HG1' ' D' ' 99' ' ' THR . 2.1 t60 -68.57 -53.97 19.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.777 HD12 ' C ' ' D' ' 92' ' ' SER . 5.4 mt -50.68 -37.47 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.048 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.807 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.2 OUTLIER -64.32 -48.82 74.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.752 179.432 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -1.98 52.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.409 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 99' ' ' THR . . . . . 0.493 ' HG1' ' CE1' ' D' ' 95' ' ' HIS . 1.6 m -100.54 -34.37 9.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.577 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.802 HD21 HD23 ' A' ' 23' ' ' LEU . 15.0 mt -87.62 -53.95 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.413 . . . . 0.0 110.226 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.84 37.1 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.646 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 102' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.2 OUTLIER -97.56 23.14 8.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.743 179.651 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 33.1 t 65.8 -71.71 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.72 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 104' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' D' ' 102' ' ' ASP . 39.3 tp60 -60.9 -30.96 70.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.147 0.499 . . . . 0.0 109.94 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.835 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.4 OUTLIER -70.8 -39.65 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.475 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.71 -36.04 82.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.948 0.404 . . . . 0.0 110.261 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.57 -40.46 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.752 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.759 ' HB3' HG13 ' A' ' 15' ' ' VAL . 41.5 m-20 -70.7 -44.16 67.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.835 HD12 ' O ' ' D' ' 105' ' ' SER . 4.2 mt -58.72 -49.41 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.428 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.627 ' HA ' HD12 ' D' ' 113' ' ' LEU . 70.8 m -57.35 -34.77 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.024 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.717 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.78 -51.34 69.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.941 179.067 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.834 HD21 ' CG1' ' A' ' 15' ' ' VAL . 1.1 mt -63.73 -40.18 96.12 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.439 178.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.628 ' CD1' HG22 ' D' ' 109' ' ' ILE . 5.8 mt -59.17 -40.49 85.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.616 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -52.49 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.43 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.542 ' CD2' HG21 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -60.27 -50.66 72.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.299 0.571 . . . . 0.0 109.72 179.133 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.941 HG13 HG12 ' D' ' 86' ' ' ILE . 89.2 t -54.3 -40.85 49.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.442 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.436 ' HG2' ' CZ ' ' D' ' 90' ' ' PHE . 29.5 mt-30 -86.54 -7.8 58.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.646 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.87 131.64 47.28 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.778 0.323 . . . . 0.0 110.429 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -58.61 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.682 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.31 -50.05 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.414 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.1 t80 -55.73 -55.63 29.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.785 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -54.48 -35.06 62.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.231 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.595 ' O ' HG13 ' D' ' 127' ' ' ILE . 97.0 m-20 -61.08 -51.41 69.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.793 0.33 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.726 ' HB2' HE21 ' A' ' 54' ' ' GLN . . . -56.32 -49.1 75.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.214 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.647 ' HB3' HD12 ' D' ' 86' ' ' ILE . 1.7 t80 -53.64 -41.52 66.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -36.38 83.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.455 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 1.132 HD11 HD11 ' B' ' 127' ' ' ILE . 13.8 mt -63.2 -49.71 82.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.082 0.468 . . . . 0.0 110.427 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.792 ' O ' ' HB ' ' D' ' 132' ' ' THR . 13.5 t-80 -66.13 -27.87 68.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.694 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.846 ' O ' HG23 ' D' ' 133' ' ' VAL . 6.9 t-20 -64.87 -60.62 2.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.734 0.302 . . . . 0.0 111.662 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.22 -50.72 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.945 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.878 HG21 HG21 ' C' ' 57' ' ' ILE . 54.0 mt -53.81 -40.29 43.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.243 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.792 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.6 OUTLIER -63.3 -50.58 69.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.329 0.585 . . . . 0.0 109.484 178.789 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.846 HG23 ' O ' ' D' ' 129' ' ' ASN . 53.7 t -55.42 -50.08 68.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.9 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.33 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.296 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.815 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.87 0.366 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.785 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -62.82 -58.21 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.73 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 7.6 ttpt -57.7 -41.79 82.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.53 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -42.69 98.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.517 ' NE2' HG23 ' A' ' 15' ' ' VAL . 22.8 tp60 -69.27 -33.37 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.496 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 8' ' ' GLU . 70.8 t -60.45 -56.15 19.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.291 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.848 HD13 ' NZ ' ' A' ' 43' ' ' LYS . 24.3 mt -53.86 -47.33 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.004 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -28.19 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.729 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.814 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.1 t -73.93 -36.79 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.132 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 13' ' ' LEU . 21.0 mt -64.32 -41.89 96.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -39.24 74.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.772 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -54.09 28.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.999 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.621 HD12 HD11 ' D' ' 112' ' ' LEU . 66.4 mt -55.37 -57.78 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.028 0.442 . . . . 0.0 110.759 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.766 ' HB3' HD12 ' A' ' 35' ' ' LEU . 4.4 ppt_? -55.01 -30.17 58.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.71 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.26 -48.85 65.33 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.865 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HB3' HD22 ' D' ' 100' ' ' LEU . 2.7 mttm -60.95 -32.93 72.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.38 . . . . 0.0 110.433 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 20' ' ' ARG . 39.6 mt -65.1 -50.4 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.455 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HG3' ' ND2' ' A' ' 32' ' ' ASN . 0.4 OUTLIER -58.6 -27.02 64.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.895 178.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.19 -29.39 31.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.517 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.1 OUTLIER -84.08 -38.32 20.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.448 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.96 -17.92 5.96 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.919 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 8.8 m-20 -92.93 68.88 4.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.032 0.444 . . . . 0.0 110.02 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.5 t -86.07 13.34 7.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.642 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.49 HG22 ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -70.22 -35.32 73.8 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.627 179.389 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.49 ' NE2' HG22 ' A' ' 30' ' ' THR . 15.3 mp0 -79.94 -22.73 42.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.714 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 29' ' ' THR . 2.8 m-20 -48.51 -46.11 38.06 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.82 0.343 . . . . 0.0 110.633 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -32.52 66.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.903 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -72.14 -36.57 69.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.264 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.766 HD12 ' HB3' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -70.24 -39.84 74.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.0 p -72.23 -37.63 69.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.393 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.71 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -61.18 -47.13 87.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.605 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.507 ' HB2' HD22 ' D' ' 84' ' ' LEU . 4.3 t80 -69.77 -36.22 75.57 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.262 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.618 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -53.87 -54.08 43.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.357 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.88 -52.16 52.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.006 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.9 m -53.04 -27.83 21.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.826 0.346 . . . . 0.0 110.532 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.658 HD12 HD11 ' A' ' 16' ' ' LEU . 5.9 mt -75.51 -39.07 58.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.848 ' NZ ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -67.35 -24.95 65.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -46.71 119.74 5.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.388 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.37 -45.34 12.08 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.531 2.154 . . . . 0.0 111.945 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.749 HD11 HD11 ' C' ' 57' ' ' ILE . 0.5 OUTLIER -59.86 -44.73 94.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.004 179.501 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.49 ' CE1' HD21 ' A' ' 51' ' ' LEU . 16.0 t80 -57.8 -45.22 86.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.473 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -56.73 -40.04 75.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.485 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -61.01 -40.59 94.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.508 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.708 HG12 HD21 ' C' ' 53' ' ' LEU . 1.9 mt -60.25 -48.44 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.747 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.602 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -64.92 -40.68 95.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.446 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.7 m -53.6 -47.17 70.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.018 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.859 HD21 HG12 ' C' ' 50' ' ' ILE . 1.1 tt -58.24 -45.54 87.56 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.669 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.563 ' HA ' HD12 ' A' ' 57' ' ' ILE . 15.3 mt-30 -60.93 -33.93 73.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.82 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -41.13 90.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.763 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 m -61.3 -49.13 78.27 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.867 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.698 ' CG1' HD12 ' C' ' 46' ' ' LEU . 15.0 mt -61.63 -37.55 78.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.967 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -35.98 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.016 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -58.46 -61.28 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.836 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -49.43 -46.2 47.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.567 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG2' ' HG3' ' B' ' 135' ' ' MET . 5.8 mtmt -47.99 -44.45 30.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.724 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.799 179.765 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' C' ' 37' ' ' ALA . 4.3 mmmt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.647 0.261 . . . . 0.0 110.62 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.651 HG22 ' HB2' ' B' ' 129' ' ' ASN . 0.2 OUTLIER -92.21 -61.42 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 0.0 111.019 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 1.061 HD13 ' HB3' ' C' ' 37' ' ' ALA . 2.7 tp 63.52 53.17 2.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.15 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -41.11 128.2 2.8 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.492 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.866 HG12 HG13 ' B' ' 116' ' ' VAL . 0.7 OUTLIER -49.43 -24.99 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.832 -178.855 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.87 -45.95 87.12 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.339 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -36.09 53.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.037 0.446 . . . . 0.0 109.942 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.694 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.48 -30.22 64.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.675 179.7 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 15.3 t80 -72.47 -45.8 57.84 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 23.1 m -63.06 -31.4 72.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.532 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' SER . . . . . 0.844 ' O ' HD12 ' B' ' 96' ' ' ILE . 1.5 m -63.07 -53.27 56.33 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.305 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.712 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.6 OUTLIER -56.46 -34.87 67.28 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.195 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -59.19 -44.4 92.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.616 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.18 -55.5 13.86 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.844 HD12 ' O ' ' B' ' 92' ' ' SER . 4.0 mt -50.78 -34.03 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.033 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.572 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -65.57 -50.11 66.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.707 179.576 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -75.91 -20.25 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.07 0.462 . . . . 0.0 110.427 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -83.4 -36.7 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.922 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.758 HD12 HD11 ' B' ' 109' ' ' ILE . 54.5 mt -103.83 82.72 2.03 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.9 37.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.32 -178.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.16 17.87 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.098 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m 68.99 -68.31 0.19 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.185 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -34.68 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.951 0.405 . . . . 0.0 110.379 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.819 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.1 OUTLIER -67.82 -40.62 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.605 179.571 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.7 -32.93 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 110.145 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.42 -41.71 72.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.693 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.785 ' CG ' HG22 ' C' ' 15' ' ' VAL . 7.8 m-20 -70.27 -43.39 70.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.819 HD12 ' O ' ' B' ' 105' ' ' SER . 4.5 mt -60.28 -49.3 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.507 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.612 ' HA ' HD12 ' B' ' 113' ' ' LEU . 21.7 m -55.71 -34.77 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.841 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.678 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -58.08 -50.99 71.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.769 178.748 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.844 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.2 mt -60.8 -40.7 93.64 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.311 0.577 . . . . 0.0 109.465 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' B' ' 110' ' ' SER . 4.0 mt -62.51 -40.52 97.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.611 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.569 ' HG3' ' N ' ' B' ' 115' ' ' LEU . 0.0 OUTLIER -63.93 -37.68 88.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.178 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.685 HD21 HG21 ' C' ' 12' ' ' VAL . 3.6 mp -70.55 -53.41 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.431 0.634 . . . . 0.0 109.36 178.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.866 HG13 HG12 ' B' ' 86' ' ' ILE . 45.0 t -58.75 -34.95 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.55 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.42 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 38.7 mt-30 -87.4 -16.3 35.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.664 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.46 148.85 18.26 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.667 0.27 . . . . 0.0 110.636 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -58.96 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.152 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -59.92 -43.95 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.755 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 10.0 t80 -57.93 -56.37 22.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.419 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -50.01 -35.93 26.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.032 0.444 . . . . 0.0 110.418 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' ASN . . . . . 0.403 ' HB3' HG12 ' D' ' 127' ' ' ILE . 4.2 m-20 -61.59 -47.8 83.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.629 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.903 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -62.52 -49.25 76.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.297 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.504 ' CD1' HD12 ' B' ' 86' ' ' ILE . 7.6 t80 -62.06 -36.54 81.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.293 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 126' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 0.1 OUTLIER -64.47 -40.45 95.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.881 0.372 . . . . 0.0 110.581 -179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 1.066 HD11 HD11 ' D' ' 127' ' ' ILE . 7.0 mt -61.07 -49.85 82.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.115 0.483 . . . . 0.0 110.634 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.776 ' O ' ' HB ' ' B' ' 132' ' ' THR . 38.8 t-80 -65.56 -40.28 92.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.199 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.892 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -55.18 -56.08 24.0 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.856 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 130' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' B' ' 129' ' ' ASN . . . -68.35 -51.72 41.28 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.703 HD12 HG22 ' B' ' 127' ' ' ILE . 66.1 mt -56.82 -42.93 78.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.318 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.776 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -58.72 -47.3 85.04 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.436 0.636 . . . . 0.0 109.341 178.82 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 129' ' ' ASN . 86.3 t -52.54 -50.75 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.735 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -64.31 -30.81 71.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.885 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 135' ' ' MET . . . . . 0.431 ' HG3' ' HG2' ' A' ' 61' ' ' LYS . 34.3 ttm -51.49 -58.21 6.9 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.842 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 19.4 p30 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.017 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.88 0.371 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.764 ' O ' HG23 ' C' ' 12' ' ' VAL . 10.9 mt-10 -59.28 -55.37 35.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.704 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.0 OUTLIER -60.4 -39.9 89.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.376 179.52 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.7 mmt -61.34 -44.82 96.54 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.515 ' O ' HG23 ' C' ' 15' ' ' VAL . 26.6 tp60 -65.03 -36.5 84.56 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.764 HG23 ' O ' ' C' ' 8' ' ' GLU . 69.6 t -59.59 -49.87 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.543 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.668 HD13 ' HE1' ' C' ' 39' ' ' TYR . 13.7 mt -57.4 -42.15 81.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -68.05 -28.52 67.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.53 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.785 HG22 ' CG ' ' B' ' 108' ' ' ASP . 6.4 t -73.38 -38.41 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.716 179.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' C' ' 13' ' ' LEU . 28.5 mt -64.17 -40.15 95.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.832 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.79 -43.12 69.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -65.33 -54.15 33.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.78 HD12 HD11 ' B' ' 112' ' ' LEU . 60.9 mt -52.4 -57.18 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.001 0.429 . . . . 0.0 110.619 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.699 ' HB2' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -51.62 -37.77 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.039 179.85 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.44 -45.92 94.75 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.948 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.481 ' HB3' HD22 ' B' ' 100' ' ' LEU . 7.3 mttm -62.63 -35.59 80.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.826 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.581 HD21 HG23 ' B' ' 96' ' ' ILE . 26.9 mt -65.58 -50.13 66.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.366 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.519 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -58.61 -28.46 65.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.073 179.219 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.6 -32.54 28.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.381 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.736 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.5 OUTLIER -80.89 -31.75 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.288 -179.759 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.79 24.1 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.54 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -118.05 81.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.01 0.433 . . . . 0.0 110.16 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.519 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -93.69 14.96 17.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.382 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 30' ' ' THR . . . . . 0.564 HG22 HE21 ' C' ' 31' ' ' GLN . 4.0 m -85.38 -44.43 12.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.309 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.683 ' HB3' HD11 ' B' ' 96' ' ' ILE . 1.5 mm-40 -78.75 -21.54 47.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.572 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ASN . . . . . 0.408 ' ND2' ' CG ' ' C' ' 24' ' ' GLN . 22.8 m-20 -53.09 -46.13 68.52 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.0 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -56.7 -32.75 65.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.115 0.483 . . . . 0.0 110.227 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -69.44 -43.93 72.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.289 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.699 HD12 ' HB2' ' C' ' 20' ' ' ARG . 3.1 mt -61.16 -30.54 70.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.533 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -36.55 63.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 1.061 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -69.53 -50.0 49.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.337 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.745 ' CE2' HD11 ' C' ' 42' ' ' LEU . 40.7 t80 -63.48 -50.53 69.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.416 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.668 ' HE1' HD13 ' C' ' 13' ' ' LEU . 1.7 t80 -55.83 -53.44 56.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.929 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -42.37 88.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.367 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.565 HG22 ' CD2' ' C' ' 47' ' ' PHE . 93.3 m -61.68 -41.05 97.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.159 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.745 HD11 ' CE2' ' C' ' 38' ' ' PHE . 5.4 mt -62.6 -30.37 71.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.132 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -84.69 -27.84 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.579 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 74.6 m -43.74 139.52 2.79 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.597 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 45' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 38.7 Cg_exo -59.96 -55.01 1.85 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.553 2.168 . . . . 0.0 112.216 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.698 HD12 ' CG1' ' A' ' 57' ' ' ILE . 3.1 mm? -57.05 -54.97 40.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.936 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.892 ' CE1' HD21 ' C' ' 51' ' ' LEU . 10.5 t80 -50.83 -47.29 60.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.343 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.48 -40.52 71.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.751 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.53 ' HB3' HD12 ' A' ' 53' ' ' LEU . 27.6 mt-30 -65.97 -36.05 82.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.859 HG12 HD21 ' A' ' 53' ' ' LEU . 3.0 mt -62.43 -41.02 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.892 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -70.92 -37.71 72.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.32 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 10.2 m -54.35 -46.97 73.06 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.708 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -61.22 -47.81 84.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.781 178.685 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.447 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.2 OUTLIER -59.78 -32.84 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.829 178.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.7 -38.32 90.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.662 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 6.1 t -60.7 -48.19 82.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.857 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.995 HG21 HG21 ' D' ' 131' ' ' ILE . 44.4 mt -59.86 -39.3 79.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.143 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -36.97 74.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.896 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.08 -38.21 85.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.1 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.834 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.9 mt -57.25 -45.26 84.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.525 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mttt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.115 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.934 HG21 ' HA ' ' D' ' 129' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 119.884 -0.103 . . . . 0.0 111.22 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 0.821 ' CD2' HD22 ' D' ' 89' ' ' LEU . 11.2 tp 166.92 -39.65 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.71 0.29 . . . . 0.0 110.981 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 63.06 113.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.237 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.926 HG12 HG13 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -55.97 -27.25 22.56 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.692 -179.291 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.64 -47.85 81.94 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.372 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -34.59 56.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.869 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.821 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -72.08 -29.65 64.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.541 179.476 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.2 t80 -72.48 -50.05 28.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.885 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 28.8 t -61.45 -31.07 71.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.485 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 73.5 m -62.36 -53.12 59.6 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.427 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' D' ' 112' ' ' LEU . 1.1 mt -54.62 -37.93 66.2 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 94' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' D' ' 90' ' ' PHE . 2.3 mptm? -59.29 -38.7 80.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.39 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 95' ' ' HIS . . . . . 0.446 ' CE1' ' OE1' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -69.9 -54.36 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.119 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' D' ' 93' ' ' LEU . 7.7 mt -50.88 -39.08 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.945 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.764 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -64.02 -50.73 67.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.844 179.769 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -4.05 53.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.38 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 99' ' ' THR . . . . . 0.43 ' N ' ' O ' ' D' ' 95' ' ' HIS . 1.4 m -96.71 -35.1 11.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.43 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.891 HD12 HD11 ' D' ' 109' ' ' ILE . 83.0 mt -91.51 -60.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.48 46.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.916 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 102' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' D' ' 103' ' ' SER . 0.5 OUTLIER -94.8 -63.53 1.16 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.17 179.251 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 103' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' D' ' 102' ' ' ASP . 5.3 t 159.74 -60.39 0.0 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.671 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -71.21 -33.08 69.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.307 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.657 ' O ' HD12 ' D' ' 109' ' ' ILE . 3.0 m -72.1 -35.09 69.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.32 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.96 -42.38 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.057 0.456 . . . . 0.0 110.151 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.8 -38.64 86.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.215 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.754 ' CG ' HG22 ' A' ' 15' ' ' VAL . 84.9 m-20 -70.74 -41.17 72.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.607 0.717 . . . . 0.0 109.164 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.891 HD11 HD12 ' D' ' 100' ' ' LEU . 6.7 mt -60.29 -50.07 81.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.555 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.702 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.0 OUTLIER -58.02 -33.21 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.715 179.223 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.638 HD23 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -56.81 -51.36 69.28 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.67 178.816 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.85 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.4 mt -63.24 -43.99 96.47 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.411 178.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' D' ' 110' ' ' SER . 8.3 mt -55.92 -40.61 73.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.778 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.83 -52.23 65.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.613 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.476 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 0.7 OUTLIER -60.92 -50.37 73.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.352 0.596 . . . . 0.0 109.999 179.166 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.926 HG13 HG12 ' D' ' 86' ' ' ILE . 51.1 t -58.21 -37.92 65.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.69 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.443 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 43.1 mt-30 -86.17 -10.26 55.07 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.68 134.7 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.854 0.359 . . . . 0.0 110.553 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -58.6 7.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.255 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.63 -50.03 75.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 6.4 t80 -55.99 -48.12 76.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -54.78 -38.98 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.176 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.541 ' O ' HG13 ' D' ' 127' ' ' ILE . 79.5 m-20 -63.7 -51.98 62.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.609 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.96 -49.54 75.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.255 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.512 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 12.9 t80 -54.59 -40.59 68.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.744 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 126' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' D' ' 126' ' ' LYS . 0.0 OUTLIER -64.34 -33.86 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.463 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 1.066 HD11 HD11 ' B' ' 127' ' ' ILE . 56.5 mt -64.38 -49.82 79.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.112 0.482 . . . . 0.0 110.544 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.78 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.0 t-80 -67.77 -28.31 67.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.036 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.934 ' HA ' HG21 ' D' ' 83' ' ' ILE . 0.8 OUTLIER -67.43 -60.54 2.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.293 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.87 68.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.995 HG21 HG21 ' C' ' 57' ' ' ILE . 46.8 mt -55.72 -42.87 71.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.186 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.78 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.3 OUTLIER -61.07 -49.02 79.05 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.392 0.615 . . . . 0.0 109.488 178.845 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.871 HG23 ' O ' ' D' ' 129' ' ' ASN . 47.8 t -57.01 -45.35 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.439 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -33.44 75.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.322 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 14.3 ttm . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.538 179.719 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.781 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.1 mt-10 -64.35 -58.32 6.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.753 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -61.05 -44.72 96.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.454 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -40.21 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.563 ' NE2' HG23 ' A' ' 15' ' ' VAL . 31.5 tp60 -69.46 -34.32 74.22 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 8' ' ' GLU . 40.0 t -60.52 -55.81 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.516 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.672 ' HA ' HD12 ' A' ' 16' ' ' LEU . 16.8 mt -56.84 -40.84 76.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.013 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -28.66 67.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.318 178.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.811 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.2 t -73.67 -37.61 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.78 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 13' ' ' LEU . 28.3 mt -64.32 -41.3 96.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.802 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -71.04 -36.27 72.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.753 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -54.49 20.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.685 HD22 HD12 ' D' ' 100' ' ' LEU . 92.0 mt -53.68 -48.39 69.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.998 0.428 . . . . 0.0 109.917 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HG3' ' HB2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -49.73 -51.41 39.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.632 179.331 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.92 -46.56 55.2 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.898 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.642 ' HB3' HD22 ' D' ' 100' ' ' LEU . 1.0 OUTLIER -58.91 -31.77 68.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.661 0.267 . . . . 0.0 111.043 179.582 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.573 HD12 ' OD1' ' A' ' 32' ' ' ASN . 27.3 mt -72.99 -45.32 58.57 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.116 0.484 . . . . 0.0 110.428 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.85 -26.55 65.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.155 179.248 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.57 -33.76 27.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.698 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 2.2 mptt -83.31 -32.06 26.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.457 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.15 -18.99 11.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.732 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.474 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 9.0 m-20 -71.46 77.16 0.78 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.012 0.434 . . . . 0.0 110.192 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.18 13.34 9.7 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.923 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.4 m -83.4 -48.8 9.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.718 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -73.47 -24.67 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.702 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.573 ' OD1' HD12 ' A' ' 23' ' ' LEU . 29.9 m-20 -51.43 -46.45 62.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.693 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -56.91 -32.6 66.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.253 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -70.56 -37.21 73.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.282 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.431 ' HB2' ' HG3' ' A' ' 20' ' ' ARG . 3.1 mt -68.61 -30.29 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.566 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -77.05 -33.14 57.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.002 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.99 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -73.0 -44.75 60.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.383 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CE2' ' CD1' ' A' ' 42' ' ' LEU . 41.9 t80 -68.31 -51.53 43.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.383 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.523 ' CA ' HD13 ' A' ' 16' ' ' LEU . 3.3 t80 -54.06 -51.95 62.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.562 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.54 -51.78 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 111.078 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.975 HG22 ' CD2' ' A' ' 47' ' ' PHE . 89.5 m -54.17 -49.12 70.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.509 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.66 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -54.02 -35.45 61.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.529 179.328 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.505 ' HG3' HD13 ' A' ' 13' ' ' LEU . 18.6 mtpt -79.6 -33.74 41.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.62 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.7 p -47.12 140.89 6.39 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.223 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.85 -38.03 5.89 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.522 2.148 . . . . 0.0 112.193 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.744 HD11 HD13 ' C' ' 57' ' ' ILE . 0.4 OUTLIER -62.05 -55.32 30.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.199 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.975 ' CD2' HG22 ' A' ' 41' ' ' THR . 11.0 t80 -59.21 -42.73 91.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.218 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -56.09 -39.37 72.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.382 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -42.83 99.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.197 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.918 HG12 HD21 ' C' ' 53' ' ' LEU . 10.3 mt -58.46 -49.26 82.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.938 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.737 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -66.06 -34.55 78.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.157 179.714 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -53.46 -49.68 66.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.822 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.661 HD21 HG12 ' C' ' 50' ' ' ILE . 0.5 OUTLIER -61.29 -44.98 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.485 178.627 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.581 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -59.48 -32.91 70.69 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.921 179.04 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -37.97 87.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.009 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -48.99 79.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.905 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 1.067 HG21 HG21 ' B' ' 131' ' ' ILE . 70.3 mt -60.55 -35.75 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.926 178.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -36.29 76.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.716 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.33 -37.11 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.098 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.812 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.3 mt -56.54 -47.5 79.28 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.636 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.533 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 5.4 mttt -64.3 -58.86 5.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.984 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.774 -179.693 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.838 ' CD1' HG22 ' B' ' 133' ' ' VAL . 1.3 mt -63.99 -146.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.171 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.825 HD21 HD22 ' B' ' 89' ' ' LEU . 7.6 tp -179.82 -36.36 0.01 OUTLIER 'General case' 0 C--O 1.231 0.096 0 O-C-N 122.241 -0.287 . . . . 0.0 111.276 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 56.73 105.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.311 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.906 HG12 HG13 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -50.02 -24.98 2.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.344 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.04 -40.87 91.33 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.928 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ASP . . . . . 0.437 ' HB3' ' HE2' ' C' ' 34' ' ' LYS . 1.0 OUTLIER -80.86 -37.66 29.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.584 178.516 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.825 HD22 HD21 ' B' ' 84' ' ' LEU . 0.1 OUTLIER -69.53 -32.52 71.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.431 179.382 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 9.3 t80 -72.67 -50.03 27.66 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.901 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.1 m -62.12 -30.42 71.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' SER . . . . . 0.416 ' HA ' ' OE1' ' C' ' 31' ' ' GLN . 0.4 OUTLIER -62.02 -53.02 61.44 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.372 179.283 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.73 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -56.07 -37.15 68.93 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 70.5 mmtt -59.89 -37.76 80.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.856 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' B' ' 99' ' ' THR . 0.5 OUTLIER -72.32 -49.9 30.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.279 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' B' ' 93' ' ' LEU . 9.2 mt -53.62 -43.32 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.454 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.856 ' HB3' HG21 ' B' ' 109' ' ' ILE . 10.8 pt20 -64.56 -41.19 96.47 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.468 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.413 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 29.8 t-80 -86.38 -0.7 56.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' THR . . . . . 0.427 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.2 m -102.28 -35.82 8.71 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.432 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.845 HD12 HD11 ' B' ' 109' ' ' ILE . 75.4 mt -88.39 -53.91 4.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.477 . . . . 0.0 109.831 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.57 43.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.008 178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' B' ' 103' ' ' SER . 4.6 m-20 -95.3 -63.76 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.055 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 103' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 102' ' ' ASP . 1.2 m 159.26 -58.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.964 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -29.94 66.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.557 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.657 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.2 OUTLIER -72.26 -38.24 68.89 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.577 179.251 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -42.52 93.87 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.07 0.462 . . . . 0.0 110.517 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -38.55 85.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.146 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.745 ' HB3' HG13 ' C' ' 15' ' ' VAL . 0.5 OUTLIER -70.72 -41.19 72.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.683 0.754 . . . . 0.0 109.13 178.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.856 HG21 ' HB3' ' B' ' 97' ' ' GLN . 8.3 mt -61.63 -49.9 82.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.567 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.712 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.8 t -56.16 -37.07 69.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.008 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.492 HD23 HG22 ' C' ' 12' ' ' VAL . 0.4 OUTLIER -56.58 -51.22 69.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.881 178.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.891 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.2 mt -62.69 -44.03 97.28 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' B' ' 110' ' ' SER . 9.0 mt -54.74 -41.69 70.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.835 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.66 -51.98 66.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.973 0.416 . . . . 0.0 110.576 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.542 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.6 mp -59.57 -47.53 85.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.259 0.552 . . . . 0.0 110.224 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.906 HG13 HG12 ' B' ' 86' ' ' ILE . 48.5 t -58.91 -39.84 78.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.696 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.443 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 52.1 mt-30 -82.55 -13.16 57.07 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 130.67 48.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.645 0.26 . . . . 0.0 110.534 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' LYS . . . . . 0.847 ' NZ ' ' HB1' ' D' ' 130' ' ' ALA . 0.0 OUTLIER -56.54 -59.27 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 111.54 -179.362 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -48.07 80.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.806 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.4 t80 -55.72 -49.42 73.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.687 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -39.58 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' ASN . . . . . 0.467 ' HB3' HG12 ' D' ' 127' ' ' ILE . 2.5 m-20 -65.33 -43.17 91.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.071 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.957 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -62.34 -49.49 75.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.076 0.465 . . . . 0.0 110.971 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.685 ' CD1' HD12 ' B' ' 86' ' ' ILE . 11.2 t80 -61.6 -34.93 76.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.604 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 0.0 OUTLIER -63.9 -38.15 90.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.255 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 1.034 HD11 HD11 ' D' ' 127' ' ' ILE . 9.2 mt -62.12 -49.79 82.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.117 0.484 . . . . 0.0 110.331 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.622 ' O ' ' HB ' ' B' ' 132' ' ' THR . 17.4 t-80 -65.38 -28.03 68.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.176 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.862 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.6 OUTLIER -66.57 -61.19 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.17 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.81 -50.61 64.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.652 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 1.067 HG21 HG21 ' A' ' 57' ' ' ILE . 54.9 mt -53.62 -42.63 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.519 0.199 . . . . 0.0 110.811 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.622 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.7 OUTLIER -57.86 -49.83 75.38 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.488 0.661 . . . . 0.0 109.389 178.615 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.862 HG23 ' O ' ' B' ' 129' ' ' ASN . 24.5 t -53.79 -46.08 62.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.27 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.309 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -60.38 3.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.982 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.886 0.374 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.79 ' O ' HG23 ' C' ' 12' ' ' VAL . 23.7 mt-10 -66.12 -56.87 9.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -43.1 93.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 5.8 mmt -61.71 -53.24 58.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.928 ' O ' HG23 ' C' ' 15' ' ' VAL . 30.4 tp60 -57.69 -39.13 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.686 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.79 HG23 ' O ' ' C' ' 8' ' ' GLU . 24.8 t -54.78 -54.01 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.59 ' HA ' HD12 ' C' ' 16' ' ' LEU . 11.6 mt -53.66 -42.5 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.013 0.435 . . . . 0.0 110.146 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -28.09 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.859 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.928 HG23 ' O ' ' C' ' 11' ' ' GLN . 80.1 t -73.22 -39.37 56.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.051 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.596 HD13 ' CA ' ' C' ' 39' ' ' TYR . 16.9 mt -64.75 -43.2 94.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.102 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.67 -43.04 81.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -64.66 -54.13 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.6 HD12 HD11 ' B' ' 112' ' ' LEU . 29.2 mt -54.67 -57.65 10.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.963 0.411 . . . . 0.0 110.692 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.753 ' HB3' HD12 ' C' ' 35' ' ' LEU . 1.9 ppt_? -54.81 -30.1 56.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.864 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.67 -46.89 71.92 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.72 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.618 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.7 mtpp -59.6 -35.63 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.71 0.29 . . . . 0.0 110.465 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.622 HD23 HD21 ' B' ' 100' ' ' LEU . 20.2 mt -66.28 -47.18 74.48 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.057 0.456 . . . . 0.0 110.253 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.436 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -57.75 -28.44 63.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.949 178.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -82.1 -30.85 30.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.693 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.594 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.6 OUTLIER -83.83 -33.15 24.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.318 -179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.39 11.89 5.92 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.804 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -104.65 81.86 1.83 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.976 0.417 . . . . 0.0 110.003 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.436 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -92.52 19.52 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.037 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 55.3 m -91.13 -39.75 11.97 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.669 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.603 ' HB2' HD13 ' C' ' 23' ' ' LEU . 1.2 mm-40 -83.26 -24.22 32.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ASN . . . . . 0.426 ' ND2' ' CG ' ' C' ' 24' ' ' GLN . 99.4 m-20 -51.68 -39.82 58.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.369 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.12 -41.02 95.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' C' ' 31' ' ' GLN . 2.8 mptt -59.49 -54.9 41.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.084 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.753 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.3 mt -57.85 -39.77 78.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -73.44 -29.95 62.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.127 0.489 . . . . 0.0 109.941 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.702 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.03 -46.48 56.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.666 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.894 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 9.0 t80 -71.05 -43.6 67.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.285 0.564 . . . . 0.0 110.002 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.596 ' CA ' HD13 ' C' ' 16' ' ' LEU . 22.4 t80 -55.4 -53.47 55.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.426 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 0.2 OUTLIER -59.33 -50.41 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.621 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.769 HG22 ' CD2' ' C' ' 47' ' ' PHE . 86.9 m -56.26 -40.56 74.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.894 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 3.8 mt -59.84 -35.42 74.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.146 0.498 . . . . 0.0 110.278 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.464 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 1.0 OUTLIER -70.91 -31.1 67.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.703 179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.23 124.05 5.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.361 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.9 -50.31 7.96 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.428 2.085 . . . . 0.0 112.092 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.757 HD11 HD11 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.91 -52.79 64.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.336 179.74 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.769 ' CD2' HG22 ' C' ' 41' ' ' THR . 15.4 t80 -56.18 -38.49 71.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -57.95 -41.68 83.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.25 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.42 ' HB3' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -63.08 -36.44 83.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.995 179.039 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.728 HD12 ' HD1' ' C' ' 47' ' ' PHE . 12.7 mt -58.74 -48.99 84.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.724 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.571 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.5 OUTLIER -66.16 -42.16 89.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.345 179.707 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 10.0 m -55.85 -41.56 74.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.187 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.918 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -61.47 -49.98 74.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.071 179.231 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.551 ' OE1' HD23 ' C' ' 53' ' ' LEU . 0.0 OUTLIER -60.04 -34.98 74.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.352 179.443 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -61.26 -40.32 93.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.085 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 7.7 t -61.85 -45.89 91.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.86 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.755 ' CG2' HG21 ' D' ' 131' ' ' ILE . 5.3 mt -59.99 -36.86 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.212 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -39.95 91.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.94 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.28 -38.74 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.252 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -57.83 -47.59 82.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.47 179.43 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 61' ' ' LYS . . . . . 0.469 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 13.2 mtmt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.735 HD12 HG22 ' D' ' 132' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.808 0.337 . . . . 0.0 110.769 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 0.99 HD13 ' HB3' ' A' ' 37' ' ' ALA . 16.2 tp -152.09 -37.86 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 85' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.3 OUTLIER 53.65 109.7 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.951 -179.717 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.975 HG12 HG13 ' D' ' 116' ' ' VAL . 1.0 OUTLIER -49.93 -27.18 3.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.409 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.05 -43.95 93.95 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.233 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -34.55 41.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.738 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.841 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.17 -30.07 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.254 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.558 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 26.4 t80 -72.46 -50.44 26.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.866 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 38.7 m -61.96 -29.44 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.555 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m -63.52 -52.86 59.39 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.456 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.746 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.7 OUTLIER -57.02 -36.78 70.85 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.519 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -59.56 -39.52 84.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.455 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 95' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' D' ' 99' ' ' THR . 0.5 OUTLIER -69.45 -52.77 23.56 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.077 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' D' ' 93' ' ' LEU . 11.7 mt -51.5 -41.29 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.97 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.892 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -61.57 -52.12 65.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.064 179.794 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.09 -5.19 55.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 0.0 110.312 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 99' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.9 m -94.43 -33.06 13.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.394 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.685 HD12 HD22 ' A' ' 19' ' ' LEU . 18.2 mt -90.61 -51.82 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.348 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.61 35.7 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.726 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 102' ' ' ASP . . . . . 0.405 ' HB2' ' HB2' ' D' ' 105' ' ' SER . 0.7 OUTLIER -98.74 22.07 10.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.646 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.0 -71.65 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -59.15 -33.07 70.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.14 0.495 . . . . 0.0 110.025 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.818 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.5 OUTLIER -68.89 -39.8 79.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.347 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -35.67 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.145 0.498 . . . . 0.0 110.288 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -41.48 77.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.678 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.72 ' CG ' HG22 ' A' ' 15' ' ' VAL . 42.7 m-20 -70.43 -43.0 70.82 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.892 HD13 ' HA ' ' D' ' 97' ' ' GLN . 5.2 mt -59.8 -49.2 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.623 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.631 ' HA ' HD12 ' D' ' 113' ' ' LEU . 8.3 t -55.83 -36.94 68.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.08 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.734 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.86 -51.47 68.92 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.29 179.043 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.877 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.8 mt -60.82 -43.18 98.55 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' D' ' 110' ' ' SER . 4.0 mt -56.47 -48.5 76.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.58 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 114' ' ' GLN . . . . . 0.424 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 33.2 mt-30 -60.86 -45.97 92.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.074 0.464 . . . . 0.0 110.458 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.735 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.1 mp -58.59 -38.51 78.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.958 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.975 HG13 HG12 ' D' ' 86' ' ' ILE . 76.2 t -69.34 -53.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.744 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.1 OUTLIER -62.95 -17.75 62.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.917 -179.134 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 118' ' ' ASN . . . . . 0.416 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 1.1 m-20 -51.27 134.57 27.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.675 0.274 . . . . 0.0 110.638 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -61.51 -59.03 5.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.496 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.1 -50.02 74.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.374 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.448 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 10.3 t80 -56.71 -46.78 81.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.603 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.55 -40.77 65.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.524 ' HB3' HG12 ' B' ' 127' ' ' ILE . 6.1 m-80 -68.03 -48.23 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.859 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.901 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -57.16 -49.09 77.04 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.192 0.52 . . . . 0.0 110.823 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.577 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 14.1 t80 -59.36 -38.79 81.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.99 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -62.08 -37.92 86.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.711 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 1.034 HD11 HD11 ' B' ' 127' ' ' ILE . 12.2 mt -62.84 -49.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.679 ' O ' ' HB ' ' D' ' 132' ' ' THR . 7.3 t-80 -66.88 -38.19 85.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.052 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.909 ' O ' HG23 ' D' ' 133' ' ' VAL . 0.3 OUTLIER -64.54 -60.38 3.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.034 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 130' ' ' ALA . . . . . 0.847 ' HB1' ' NZ ' ' B' ' 119' ' ' LYS . . . -62.54 -52.56 62.97 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.755 HG21 ' CG2' ' C' ' 57' ' ' ILE . 57.4 mt -55.12 -35.91 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.75 0.31 . . . . 0.0 110.799 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.735 HG22 HD12 ' D' ' 83' ' ' ILE . 0.6 OUTLIER -64.71 -47.91 76.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.472 0.653 . . . . 0.0 109.404 178.437 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.909 HG23 ' O ' ' D' ' 129' ' ' ASN . 21.6 t -52.57 -51.33 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.96 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.71 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.277 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.1 ttm . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.059 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.796 0.332 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.813 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.8 mt-10 -64.33 -55.03 23.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -59.5 -42.52 92.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.491 179.713 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.2 mmt -61.54 -47.5 85.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.822 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.513 ' O ' HG23 ' A' ' 15' ' ' VAL . 31.3 tp60 -64.83 -34.35 78.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.652 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 8' ' ' GLU . 41.3 t -59.64 -55.61 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.594 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.786 ' HA ' HD12 ' A' ' 16' ' ' LEU . 14.0 mt -54.77 -43.27 72.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.027 0.441 . . . . 0.0 110.134 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -28.58 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.847 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.826 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.7 t -72.04 -39.03 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.841 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 13' ' ' LEU . 9.6 mt -64.14 -41.39 97.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.65 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -66.51 -39.68 88.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.844 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -54.23 17.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.684 HD12 HD11 ' D' ' 112' ' ' LEU . 59.9 mt -54.35 -55.39 28.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.894 0.378 . . . . 0.0 110.435 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.798 ' CA ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.04 -38.8 62.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.908 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.97 -41.98 98.11 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.053 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HB3' HD22 ' D' ' 100' ' ' LEU . 14.2 mmtp -64.43 -40.85 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 110.995 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.718 HD21 HG23 ' D' ' 96' ' ' ILE . 19.5 mt -61.65 -50.49 72.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.962 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -27.88 69.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.304 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.57 -32.46 28.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.497 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HE2' ' HA ' ' D' ' 100' ' ' LEU . 0.2 OUTLIER -82.01 -34.42 29.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.273 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.24 -17.19 5.65 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.527 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.37 80.09 1.02 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.928 0.394 . . . . 0.0 110.061 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.652 HG22 HD21 ' A' ' 32' ' ' ASN . 0.2 OUTLIER -90.15 22.47 3.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.736 179.342 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.46 HG22 ' NE2' ' A' ' 31' ' ' GLN . 53.7 m -102.38 -51.06 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.522 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.46 ' NE2' HG22 ' A' ' 30' ' ' THR . 0.9 OUTLIER -70.52 -21.41 62.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.58 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.652 HD21 HG22 ' A' ' 29' ' ' THR . 36.5 p-10 -54.57 -42.8 71.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.756 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -32.77 66.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.175 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -72.75 -42.17 64.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.161 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.798 HD12 ' CA ' ' A' ' 20' ' ' ARG . 1.4 mt -66.05 -36.32 82.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.243 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.68 -32.18 60.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.743 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.108 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.83 -44.22 66.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.327 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.64 ' CD2' HD21 ' A' ' 16' ' ' LEU . 2.6 t80 -70.31 -47.36 61.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.401 0.62 . . . . 0.0 109.893 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.718 ' HA ' HD13 ' A' ' 16' ' ' LEU . 24.0 t80 -53.72 -53.32 53.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.092 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -60.56 -52.06 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.756 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.481 HG22 ' CD2' ' A' ' 47' ' ' PHE . 86.0 m -54.54 -41.09 69.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.011 0.434 . . . . 0.0 110.427 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.706 HD22 HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -59.32 -37.38 77.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.188 179.442 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HE2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -70.12 -28.82 65.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.648 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.0 t -45.65 130.32 6.57 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.289 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.83 -51.39 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.356 2.037 . . . . 0.0 112.45 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.908 HD13 HG12 ' C' ' 57' ' ' ILE . 0.2 OUTLIER -58.55 -39.43 80.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.69 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.645 ' CE1' HD21 ' A' ' 51' ' ' LEU . 12.1 t80 -62.49 -43.81 97.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.965 0.412 . . . . 0.0 109.943 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.88 -39.02 70.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.025 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HB3' HD12 ' C' ' 53' ' ' LEU . 2.9 mt-30 -60.79 -42.86 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.038 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.881 HG12 HD21 ' C' ' 53' ' ' LEU . 2.7 mt -58.82 -51.56 70.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.71 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -64.17 -36.31 83.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.174 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.7 m -61.63 -40.76 96.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.318 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.8 HD21 HG12 ' C' ' 50' ' ' ILE . 1.0 OUTLIER -62.19 -51.79 66.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.524 179.682 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.603 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 3.9 pt20 -59.96 -32.04 70.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.055 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -61.62 -41.75 97.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.644 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.2 t -60.89 -42.54 98.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.361 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.785 ' HA ' HD12 ' A' ' 60' ' ' LEU . 3.7 mt -61.42 -35.12 64.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.829 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -60.69 -40.21 91.32 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.554 178.687 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -38.77 92.33 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.136 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -56.3 -47.78 78.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.596 179.395 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.588 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 1.6 mppt? -68.74 -28.32 66.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.994 -179.762 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.771 0.319 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.904 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -92.75 -171.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.083 0.468 . . . . 0.0 110.996 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.787 HD13 ' HB3' ' C' ' 37' ' ' ALA . 22.9 tp -134.82 -37.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.234 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.63 108.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.555 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.965 HG12 HG13 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -51.29 -27.24 6.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.336 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.02 -42.83 94.04 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.101 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -34.67 39.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.759 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.827 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.16 -30.98 65.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.203 179.237 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.576 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 33.3 t80 -72.05 -49.86 33.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.739 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 31.0 t -61.73 -29.3 70.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.505 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' SER . . . . . 0.404 ' C ' HD12 ' B' ' 96' ' ' ILE . 14.0 t -63.57 -53.1 57.04 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.393 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.773 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.7 OUTLIER -56.89 -36.78 70.53 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.983 0.42 . . . . 0.0 109.889 179.588 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -59.76 -41.37 90.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.8 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.404 ' O ' ' N ' ' B' ' 99' ' ' THR . 0.6 OUTLIER -69.48 -52.71 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.305 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.797 HG23 HD21 ' C' ' 23' ' ' LEU . 10.6 mt -51.42 -40.46 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.889 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.851 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -62.45 -50.36 71.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.908 179.724 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -81.94 -1.46 48.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.991 0.424 . . . . 0.0 110.583 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' THR . . . . . 0.404 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.4 m -100.3 -33.5 10.37 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.957 HD12 HD11 ' B' ' 109' ' ' ILE . 70.8 mt -90.24 -52.3 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.27 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.81 35.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.712 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.46 21.01 9.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.932 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.75 -70.79 0.1 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.711 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -32.53 72.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 0.0 109.865 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.791 ' O ' HD12 ' B' ' 109' ' ' ILE . 2.9 m -70.25 -38.71 75.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.502 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.44 -34.44 78.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.116 0.484 . . . . 0.0 110.334 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.49 -39.96 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.765 ' HB3' HG13 ' C' ' 15' ' ' VAL . 20.7 m-20 -70.4 -43.76 69.36 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.742 0.782 . . . . 0.0 108.9 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.957 HD11 HD12 ' B' ' 100' ' ' LEU . 5.5 mt -60.05 -49.36 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.643 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.648 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.2 m -56.37 -36.77 69.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.165 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.755 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -57.37 -51.42 69.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.245 179.136 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.866 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.1 mt -61.24 -42.54 98.79 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' B' ' 110' ' ' SER . 5.4 mt -56.57 -48.63 76.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.501 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.404 ' HA ' ' CG ' ' B' ' 117' ' ' GLN . 33.3 mt-30 -60.76 -46.39 90.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.567 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.764 ' CD2' HG21 ' C' ' 12' ' ' VAL . 5.6 mp -57.65 -42.3 83.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.412 0.625 . . . . 0.0 109.719 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.965 HG13 HG12 ' B' ' 86' ' ' ILE . 63.4 t -64.76 -53.54 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.903 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 113' ' ' LEU . 0.0 OUTLIER -63.61 -18.45 63.92 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.093 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.412 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 1.4 m-20 -53.13 146.02 12.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.612 0.244 . . . . 0.0 110.742 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.22 -59.4 2.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.56 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -45.67 90.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.773 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.522 ' HA ' HE22 ' C' ' 54' ' ' GLN . 10.0 t80 -55.87 -55.28 34.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.546 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.92 -39.34 39.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.677 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.46 -47.25 86.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.722 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.885 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.11 -41.26 83.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.596 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 3.7 t80 -68.2 -38.84 82.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.224 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -33.48 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.646 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 1.031 HD11 HD11 ' D' ' 127' ' ' ILE . 5.6 mt -71.78 -49.94 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.748 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.64 ' O ' ' HB ' ' B' ' 132' ' ' THR . 13.8 t-80 -64.27 -49.94 69.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.564 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.97 ' O ' HG23 ' B' ' 133' ' ' VAL . 50.2 t-20 -55.6 -59.96 4.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.945 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -52.12 67.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.648 0.261 . . . . 0.0 111.689 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.707 HD12 HG22 ' B' ' 127' ' ' ILE . 72.4 mt -58.62 -43.1 86.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.286 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.904 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.5 OUTLIER -60.77 -44.09 97.2 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.293 0.568 . . . . 0.0 109.657 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.97 HG23 ' O ' ' B' ' 129' ' ' ASN . 86.1 t -52.91 -51.17 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.124 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.81 -30.65 71.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.027 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 135' ' ' MET . . . . . 0.414 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 31.1 ttm -54.07 -52.39 61.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 10.9 p30 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.804 0.335 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.861 ' O ' HG23 ' C' ' 12' ' ' VAL . 5.8 mm-40 -68.08 -51.19 49.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.4 OUTLIER -53.99 -41.44 67.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.736 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.2 tpt -61.19 -51.32 69.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.43 ' O ' HG23 ' C' ' 15' ' ' VAL . 21.4 tp60 -59.9 -36.37 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.462 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.861 HG23 ' O ' ' C' ' 8' ' ' GLU . 84.4 t -57.85 -48.97 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.908 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.927 ' HA ' HD12 ' C' ' 16' ' ' LEU . 16.8 mt -57.74 -48.75 78.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.029 0.442 . . . . 0.0 110.194 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -65.64 -28.33 69.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.641 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.765 HG13 ' HB3' ' B' ' 108' ' ' ASP . 2.5 t -72.9 -37.87 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.067 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.927 HD12 ' HA ' ' C' ' 13' ' ' LEU . 5.8 mt -64.23 -42.85 96.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.163 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.05 -37.49 75.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.549 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -68.29 -50.01 56.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.695 HD12 HD11 ' B' ' 112' ' ' LEU . 55.7 mt -56.72 -57.76 11.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.095 0.474 . . . . 0.0 110.759 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.803 ' HB3' HD12 ' C' ' 35' ' ' LEU . 4.0 ppt_? -54.93 -33.55 62.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.806 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 21' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' C' ' 20' ' ' ARG . . . -63.57 -45.74 93.97 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.333 -0.937 . . . . 0.0 111.796 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.627 ' HB3' HD22 ' B' ' 100' ' ' LEU . 4.0 mttm -61.77 -36.39 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.679 0.276 . . . . 0.0 110.726 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.797 HD21 HG23 ' B' ' 96' ' ' ILE . 11.0 mt -67.28 -50.18 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 110.482 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.47 -29.11 58.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.115 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -82.1 -31.41 30.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.416 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -80.72 -33.12 35.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.46 2.65 8.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.671 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' ASP . . . . . 0.575 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 6.2 m-20 -108.26 70.83 0.77 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.941 0.401 . . . . 0.0 110.367 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -89.74 11.71 19.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.126 0.489 . . . . 0.0 110.388 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 16.5 m -73.14 -33.56 65.58 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.969 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.411 ' HB3' HD11 ' B' ' 96' ' ' ILE . 1.2 mm-40 -83.3 -23.24 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.462 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.07 -48.82 22.38 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.491 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.78 -32.76 65.98 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.788 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -72.82 -47.47 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.718 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.803 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.8 mt -60.68 -29.99 69.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.255 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -77.05 -38.54 52.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.767 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.787 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -67.24 -42.51 83.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.925 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.473 ' HD2' HD21 ' C' ' 16' ' ' LEU . 2.4 t80 -70.85 -42.12 70.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.178 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.799 ' HA ' HD13 ' C' ' 16' ' ' LEU . 15.8 t80 -65.5 -51.81 57.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.292 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.77 -45.02 86.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.131 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.96 HG22 ' CD2' ' C' ' 47' ' ' PHE . 85.2 m -57.99 -47.62 82.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.759 0.314 . . . . 0.0 110.676 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.663 ' HB3' HD21 ' C' ' 13' ' ' LEU . 6.1 mt -58.33 -32.95 68.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.08 0.467 . . . . 0.0 110.485 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.686 ' HG3' HD13 ' C' ' 13' ' ' LEU . 12.3 mtpt -79.5 -35.6 39.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.563 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -45.67 139.52 4.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.308 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.55 -41.34 8.75 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.453 2.102 . . . . 0.0 112.087 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.726 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -60.75 -55.17 36.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.102 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.96 ' CD2' HG22 ' C' ' 41' ' ' THR . 10.2 t80 -58.57 -42.83 88.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.19 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -55.83 -38.32 69.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.434 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.18 -41.89 99.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.123 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.8 HG12 HD21 ' A' ' 53' ' ' LEU . 5.0 mt -60.22 -48.73 86.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.874 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.635 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -61.27 -36.58 80.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.315 179.735 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 30.5 m -59.59 -42.58 92.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.428 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.881 HD21 HG12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -60.45 -51.9 67.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.399 179.598 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.575 ' OE1' ' HB2' ' B' ' 124' ' ' ALA . 13.2 pt20 -62.13 -31.0 71.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -59.65 -40.92 89.3 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -47.56 82.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.503 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.944 HG21 HG21 ' D' ' 131' ' ' ILE . 34.5 mt -60.47 -34.89 59.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.9 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -59.84 -41.76 92.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.859 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -40.92 97.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.983 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.2 mt -55.58 -45.9 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.414 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.816 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.6 OUTLIER . . . . . 0 CA--C 1.52 -0.204 0 CA-C-O 120.943 0.401 . . . . 0.0 110.623 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 1.108 HD13 ' HB3' ' A' ' 37' ' ' ALA . 58.9 tp -117.59 -38.37 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.327 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.96 102.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.109 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.89 HG12 HG13 ' D' ' 116' ' ' VAL . 0.6 OUTLIER -49.52 -25.87 2.11 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.523 -179.155 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.05 -46.3 88.17 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.337 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.43 -34.96 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.046 0.45 . . . . 0.0 109.853 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.716 ' O ' HD12 ' D' ' 89' ' ' LEU . 0.1 OUTLIER -72.12 -29.25 63.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.27 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.548 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 9.1 t80 -72.38 -50.27 27.84 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.122 0.487 . . . . 0.0 109.745 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 68.4 m -62.95 -28.06 69.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.431 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 92' ' ' SER . . . . . 0.415 ' OG ' HD11 ' D' ' 96' ' ' ILE . 4.1 t -64.03 -52.97 56.95 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.386 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.765 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.8 OUTLIER -56.87 -37.62 71.59 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -59.43 -40.55 87.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.692 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.68 -53.28 19.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.718 HG23 HD21 ' A' ' 23' ' ' LEU . 10.3 mt -51.87 -38.48 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.885 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.921 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.52 -51.53 67.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.935 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -81.63 -2.95 52.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.446 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 99' ' ' THR . . . . . 0.427 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.9 m -99.09 -32.21 11.37 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.443 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.681 HD12 HD22 ' A' ' 19' ' ' LEU . 15.5 mt -89.95 -53.78 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.241 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.6 35.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.665 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' D' ' 104' ' ' GLN . 7.3 m-20 -96.99 23.51 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.722 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 31.8 t 65.97 -71.47 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.783 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' D' ' 102' ' ' ASP . 2.9 mm100 -60.63 -30.77 70.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.144 0.497 . . . . 0.0 109.91 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.82 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.5 OUTLIER -70.73 -39.87 73.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.554 179.529 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.82 -38.33 90.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.003 0.43 . . . . 0.0 110.519 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.69 -39.8 80.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.796 ' CG ' HG22 ' A' ' 15' ' ' VAL . 28.8 m-20 -70.49 -42.95 70.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.921 HD13 ' HA ' ' D' ' 97' ' ' GLN . 4.7 mt -59.95 -49.63 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.645 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.629 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.0 OUTLIER -57.24 -35.16 69.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.082 179.439 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.62 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.76 -51.35 69.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.032 178.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.838 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.3 mt -63.21 -42.67 99.32 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' D' ' 110' ' ' SER . 6.0 mt -56.15 -42.33 76.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.621 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -62.25 -52.21 64.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.785 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.9 mp -58.98 -48.71 80.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.246 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.89 HG13 HG12 ' D' ' 86' ' ' ILE . 62.7 t -57.12 -41.42 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.531 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.452 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 43.9 mt-30 -82.93 -11.04 58.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.5 128.38 36.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.735 0.303 . . . . 0.0 110.482 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -52.31 -58.99 4.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.499 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.71 -50.32 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 111.055 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.6 t80 -55.81 -52.77 62.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -54.65 -31.25 57.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.066 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.611 ' O ' HG13 ' D' ' 127' ' ' ILE . 22.5 m120 -67.55 -52.43 38.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.603 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -58.19 -49.24 77.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.643 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 4.6 t80 -56.18 -40.41 73.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -34.19 76.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.207 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 1.031 HD11 HD11 ' B' ' 127' ' ' ILE . 5.7 mt -63.21 -49.61 82.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.438 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.838 ' O ' ' HB ' ' D' ' 132' ' ' THR . 38.1 t-80 -65.36 -41.25 94.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.015 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.946 ' O ' HG23 ' D' ' 133' ' ' VAL . 27.2 m-20 -55.05 -60.73 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.21 -51.91 58.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.539 0.209 . . . . 0.0 111.506 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.944 HG21 HG21 ' C' ' 57' ' ' ILE . 69.5 mt -56.19 -40.12 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.16 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.838 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -61.46 -43.1 99.46 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.837 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.946 HG23 ' O ' ' D' ' 129' ' ' ASN . 47.0 t -52.88 -47.72 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.463 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -63.1 -32.87 74.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.034 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.603 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.851 0.358 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.9 mt-10 -61.21 -57.07 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.721 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -61.49 -42.86 99.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.544 179.675 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -41.52 97.51 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.558 ' NE2' HG23 ' A' ' 15' ' ' VAL . 31.0 tp60 -67.21 -35.67 80.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.748 HG22 HD23 ' D' ' 111' ' ' LEU . 24.5 t -60.17 -47.89 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.438 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.759 ' HA ' HD12 ' A' ' 16' ' ' LEU . 13.5 mt -62.69 -44.63 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.444 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -63.71 -29.4 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.239 178.142 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.783 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.4 t -71.64 -35.81 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.293 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 13' ' ' LEU . 27.0 mt -64.13 -40.43 96.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.056 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.444 ' OD2' ' HA ' ' A' ' 14' ' ' GLN . 5.7 p30 -76.29 -28.05 56.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.43 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -73.84 -54.66 7.49 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.987 0.422 . . . . 0.0 110.418 179.634 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.532 HD12 HD11 ' D' ' 112' ' ' LEU . 89.5 mt -56.59 -49.27 75.4 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.672 ' HB2' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -51.02 -48.33 61.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.836 179.272 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.29 -44.94 65.31 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.876 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.773 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.3 OUTLIER -63.38 -36.3 83.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.511 0.196 . . . . 0.0 111.173 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.802 HD23 HD21 ' D' ' 100' ' ' LEU . 31.4 mt -65.66 -50.5 64.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.014 0.435 . . . . 0.0 110.581 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -26.88 66.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.22 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.59 -32.9 28.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.64 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -32.14 30.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.398 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.82 19.24 5.34 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 120.571 -0.824 . . . . 0.0 112.627 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -110.07 77.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.019 0.438 . . . . 0.0 109.953 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.25 9.03 30.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.307 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.422 HG22 ' NE2' ' A' ' 31' ' ' GLN . 57.3 m -82.51 -54.72 4.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.31 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.556 ' OE1' ' CE1' ' D' ' 95' ' ' HIS . 1.2 mp0 -63.81 -18.93 64.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.034 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -46.66 -46.49 19.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.73 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.55 -36.0 68.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.146 0.498 . . . . 0.0 109.721 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HD3' ' HB2' ' D' ' 92' ' ' SER . 0.4 OUTLIER -61.25 -44.38 97.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.688 178.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.672 HD12 ' HB2' ' A' ' 20' ' ' ARG . 2.5 mt -70.78 -34.81 72.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.733 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -72.13 -34.96 68.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.124 0.487 . . . . 0.0 109.937 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.008 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -74.98 -40.76 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.219 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.717 ' HD2' HD21 ' A' ' 16' ' ' LEU . 2.4 t80 -70.54 -51.09 31.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.357 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.601 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -54.91 -51.1 67.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.286 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.54 -52.31 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.238 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.892 HG22 ' CD2' ' A' ' 47' ' ' PHE . 95.1 m -59.05 -48.53 81.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.52 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.576 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.66 -34.21 61.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.893 179.484 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.428 ' HG3' HD13 ' A' ' 13' ' ' LEU . 12.3 mtpt -77.78 -34.81 52.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.611 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.07 134.46 6.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.327 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.72 -40.4 9.99 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.492 2.128 . . . . 0.0 112.203 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.714 HD11 HD13 ' C' ' 57' ' ' ILE . 0.5 OUTLIER -59.61 -55.04 39.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.352 179.701 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.892 ' CD2' HG22 ' A' ' 41' ' ' THR . 12.3 t80 -58.09 -40.58 81.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.389 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -57.6 -41.16 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.495 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.19 -42.44 98.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.267 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.889 HG12 HD21 ' C' ' 53' ' ' LEU . 22.3 mt -56.78 -46.09 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.868 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.03 -36.19 83.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.235 179.679 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.8 m -53.92 -50.82 65.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.988 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.885 HD21 HG12 ' C' ' 50' ' ' ILE . 1.0 OUTLIER -59.4 -44.87 92.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.788 178.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.593 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.1 OUTLIER -59.95 -34.29 73.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.169 179.169 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -40.54 97.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.097 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 t -60.71 -45.84 92.68 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.673 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.93 HG21 HG21 ' B' ' 131' ' ' ILE . 5.7 mt -62.09 -34.78 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.887 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -42.82 84.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.78 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.58 -39.63 94.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.251 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.5 mt -53.01 -47.26 68.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.662 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -63.06 -49.93 72.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.853 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.592 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.884 HG23 HG21 ' B' ' 132' ' ' THR . 0.0 OUTLIER -109.17 -103.21 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 119.601 -0.238 . . . . 0.0 111.25 -179.744 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.846 ' CD2' HD22 ' B' ' 89' ' ' LEU . 11.0 tp 159.49 -41.84 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.46 112.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.383 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.821 HG12 HG13 ' B' ' 116' ' ' VAL . 1.1 mt -57.22 -29.53 32.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.765 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.91 -47.69 83.81 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.246 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -35.87 57.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.952 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.846 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.98 -28.6 63.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.563 179.564 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.543 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.42 -50.02 29.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -63.17 -28.47 70.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.517 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' SER . . . . . 0.444 ' C ' HD12 ' B' ' 96' ' ' ILE . 57.7 m -64.36 -51.33 63.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.748 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.736 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.7 OUTLIER -59.29 -38.35 79.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.498 ' HE2' HD22 ' B' ' 113' ' ' LEU . 36.9 mmtt -59.78 -38.54 82.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.288 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.04 -49.54 35.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.768 HG23 HD21 ' C' ' 23' ' ' LEU . 12.0 mt -53.64 -44.1 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.735 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.894 ' HB3' HG21 ' B' ' 109' ' ' ILE . 3.5 pt20 -62.2 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.746 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -85.38 -0.8 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.554 179.129 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 99' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.3 m -102.2 -34.2 9.35 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 1.005 HD12 HD11 ' B' ' 109' ' ' ILE . 76.8 mt -82.8 -50.18 8.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.457 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 100' ' ' LEU . 0.0 OUTLIER 45.06 52.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.232 179.373 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 102' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.5 OUTLIER -120.47 20.87 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.119 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 73.4 m 63.17 -75.7 0.03 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.821 0.343 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -54.86 -29.25 54.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.176 0.512 . . . . 0.0 109.958 179.198 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.875 ' O ' HD12 ' B' ' 109' ' ' ILE . 2.4 m -67.7 -43.27 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.212 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.17 -35.7 75.92 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.119 0.485 . . . . 0.0 110.487 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.66 -42.55 77.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.242 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.796 ' HB3' HG13 ' C' ' 15' ' ' VAL . 18.8 m-20 -70.44 -44.89 66.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.732 0.777 . . . . 0.0 108.97 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 1.005 HD11 HD12 ' B' ' 100' ' ' LEU . 3.9 mt -58.44 -48.86 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.393 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.633 ' HA ' HD12 ' B' ' 113' ' ' LEU . 66.6 m -57.14 -34.84 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.149 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.867 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.88 -51.39 69.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.847 178.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.861 HD22 HG13 ' C' ' 12' ' ' VAL . 1.4 mt -63.08 -42.27 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.362 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.638 ' CD1' HG22 ' B' ' 109' ' ' ILE . 6.2 mt -56.82 -40.53 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.7 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.486 ' NE2' ' HA ' ' B' ' 111' ' ' LEU . 0.3 OUTLIER -61.68 -52.34 64.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.558 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.746 ' CD2' HG21 ' C' ' 12' ' ' VAL . 0.9 OUTLIER -60.11 -49.56 77.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.19 179.4 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.853 HG23 ' O ' ' B' ' 112' ' ' LEU . 48.8 t -58.4 -37.28 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.547 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -87.75 -8.57 55.85 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.4 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 1.3 m-20 -61.21 150.67 33.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.717 0.294 . . . . 0.0 110.374 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -72.08 -58.94 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.513 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.78 -46.31 90.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.0 t80 -55.94 -49.92 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.589 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 8.1 mt-30 -54.28 -44.29 71.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 123' ' ' ASN . . . . . 0.434 ' HB3' HG12 ' D' ' 127' ' ' ILE . 5.9 m120 -59.51 -47.36 85.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.924 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.17 -40.27 81.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.741 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.492 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 4.6 t80 -66.07 -38.49 88.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.828 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 126' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 18.0 mmtt -61.77 -37.09 83.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.317 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 1.041 HD11 HD11 ' D' ' 127' ' ' ILE . 10.4 mt -64.68 -49.87 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.272 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.726 ' O ' ' HB ' ' B' ' 132' ' ' THR . 20.6 t-80 -67.11 -27.76 67.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.717 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.866 ' O ' HG23 ' B' ' 133' ' ' VAL . 3.8 t30 -66.23 -60.62 2.61 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 130' ' ' ALA . . . . . 0.656 ' HB1' ' HE3' ' D' ' 119' ' ' LYS . . . -67.53 -49.93 61.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.93 HG21 HG21 ' A' ' 57' ' ' ILE . 51.3 mt -53.94 -48.35 63.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 121.199 -0.2 . . . . 0.0 111.156 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.884 HG21 HG23 ' B' ' 83' ' ' ILE . 0.8 OUTLIER -56.87 -53.94 52.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.385 0.612 . . . . 0.0 109.768 179.072 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.866 HG23 ' O ' ' B' ' 129' ' ' ASN . 59.0 t -53.26 -45.18 55.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.617 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -33.76 76.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.969 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.9 ttm -66.22 -38.25 87.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.515 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.875 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.83 0.348 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.789 ' O ' HG23 ' C' ' 12' ' ' VAL . 1.4 mt-10 -68.09 -57.7 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -51.95 -41.67 62.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.939 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 10' ' ' MET . . . . . 0.403 ' CE ' HD12 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -61.44 -51.7 67.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.445 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.465 ' NE2' HG23 ' C' ' 15' ' ' VAL . 25.7 tp60 -59.53 -36.01 75.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.484 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.867 HG22 HD23 ' B' ' 111' ' ' LEU . 70.2 t -58.38 -45.24 89.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.554 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.758 ' HA ' HD12 ' C' ' 16' ' ' LEU . 12.8 mt -59.46 -49.66 76.95 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.894 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -63.32 -28.46 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.54 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.796 HG13 ' HB3' ' B' ' 108' ' ' ASP . 2.9 t -73.01 -38.25 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.926 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' C' ' 13' ' ' LEU . 9.8 mt -64.12 -39.12 93.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.899 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -71.42 -39.36 71.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.708 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -67.25 -54.24 22.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.818 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.588 HD12 HD11 ' B' ' 112' ' ' LEU . 73.3 mt -53.29 -57.45 10.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.689 ' CB ' HD12 ' C' ' 35' ' ' LEU . 0.9 OUTLIER -52.11 -37.26 53.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.848 179.711 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.73 -46.67 93.09 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.276 -0.964 . . . . 0.0 111.878 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.7 ' HB3' HD22 ' B' ' 100' ' ' LEU . 3.4 mttm -65.45 -32.57 74.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.81 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.768 HD21 HG23 ' B' ' 96' ' ' ILE . 47.7 mt -66.96 -50.18 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.367 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.522 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -61.59 -26.73 68.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.03 178.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.6 -33.1 28.09 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.63 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 -31.28 41.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.406 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.82 23.94 4.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.436 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -119.16 82.95 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.94 0.4 . . . . 0.0 110.167 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.522 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -94.57 18.45 11.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.127 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 30' ' ' THR . . . . . 0.431 HG22 HE21 ' C' ' 31' ' ' GLN . 15.5 m -84.6 -38.68 19.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.556 ' HB3' HD11 ' B' ' 96' ' ' ILE . 0.7 OUTLIER -87.51 -16.66 34.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.622 179.523 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ASN . . . . . 0.418 ' OD1' ' HD3' ' C' ' 20' ' ' ARG . 1.5 m-80 -47.87 -53.24 16.31 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -32.91 65.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.442 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -66.08 -40.03 90.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.982 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.689 HD12 ' CB ' ' C' ' 20' ' ' ARG . 2.3 mt -70.26 -38.47 75.13 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.432 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -70.47 -33.53 71.37 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' B' ' 84' ' ' LEU . . . -72.37 -45.83 58.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.162 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.709 ' HD2' HD21 ' C' ' 16' ' ' LEU . 4.6 t80 -68.14 -42.89 79.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.273 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.708 ' HA ' HD13 ' C' ' 16' ' ' LEU . 0.7 OUTLIER -56.82 -53.48 57.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.993 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.32 -46.46 86.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.282 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.451 ' CG2' ' CD1' ' C' ' 47' ' ' PHE . 93.3 m -56.59 -37.83 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.052 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.529 ' CD1' HD11 ' C' ' 16' ' ' LEU . 9.0 mt -74.31 -27.49 60.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.717 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.495 ' HG3' HD13 ' C' ' 13' ' ' LEU . 5.5 mtpt -81.57 -36.94 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.63 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -47.64 135.5 10.33 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.325 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.27 -37.15 25.33 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.402 2.068 . . . . 0.0 111.944 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.716 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -61.98 -50.27 72.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.077 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.697 ' CE2' HD21 ' C' ' 51' ' ' LEU . 25.5 t80 -57.5 -45.92 84.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.616 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -55.6 -38.28 69.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.03 -42.27 99.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.296 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.885 HG12 HD21 ' A' ' 53' ' ' LEU . 28.9 mt -59.97 -47.33 92.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.951 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.697 HD21 ' CE2' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.72 -35.79 80.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.401 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 94.5 m -54.03 -50.83 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.125 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.889 HD21 HG12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -60.81 -45.68 93.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.832 179.016 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.457 HE21 HD23 ' C' ' 53' ' ' LEU . 0.0 OUTLIER -59.68 -34.63 73.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.189 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.23 -39.4 93.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.08 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 7.8 t -60.92 -45.25 95.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.826 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.781 HG21 HG21 ' D' ' 131' ' ' ILE . 6.0 mt -60.32 -34.95 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.103 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -41.85 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.816 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.64 -39.72 92.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.083 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -55.67 -53.14 60.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.661 179.421 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 61' ' ' LYS . . . . . 0.649 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 4.6 mtpt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.672 ' N ' HD13 ' D' ' 83' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.939 0.399 . . . . 0.0 110.973 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 1.008 HD13 ' HB3' ' A' ' 37' ' ' ALA . 25.0 tp -154.77 -36.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.47 105.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.628 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.778 HG12 HG13 ' D' ' 116' ' ' VAL . 0.6 OUTLIER -49.66 -25.59 2.13 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.528 -179.532 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.17 -47.0 84.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.424 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.87 -34.96 57.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.974 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.679 HD11 HG21 ' D' ' 116' ' ' VAL . 0.1 OUTLIER -72.56 -30.57 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.543 179.383 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.504 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 12.6 t80 -71.97 -47.07 54.85 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.669 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -32.04 73.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.346 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 92' ' ' SER . . . . . 0.476 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 2.3 t -61.72 -52.2 65.24 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.847 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.702 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.5 OUTLIER -59.5 -35.3 73.87 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.972 0.415 . . . . 0.0 109.969 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 94' ' ' LYS . . . . . 0.49 ' NZ ' HD22 ' D' ' 113' ' ' LEU . 4.9 mptt -59.38 -43.16 92.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.656 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 95' ' ' HIS . . . . . 0.556 ' CE1' ' OE1' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -67.39 -53.13 31.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.21 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.741 HG23 HD21 ' A' ' 23' ' ' LEU . 11.5 mt -50.88 -41.53 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.043 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.732 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.1 OUTLIER -60.65 -51.26 70.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.052 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -0.75 45.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.535 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 99' ' ' THR . . . . . 0.421 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.4 m -101.13 -32.8 10.39 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.709 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 1.017 HD12 HD11 ' D' ' 109' ' ' ILE . 45.1 mt -88.27 -54.77 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.04 39.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.694 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.3 OUTLIER -101.31 22.3 12.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.783 179.604 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 47.7 m 65.28 -72.36 0.07 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.703 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -60.27 -31.13 69.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.151 0.5 . . . . 0.0 109.802 179.217 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.821 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.8 OUTLIER -70.08 -39.76 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.583 179.468 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.19 -37.09 85.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.062 0.458 . . . . 0.0 110.337 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.54 -41.33 79.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.737 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.754 ' CG ' HG22 ' A' ' 15' ' ' VAL . 25.1 m-20 -70.56 -43.14 70.11 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 1.017 HD11 HD12 ' D' ' 100' ' ' LEU . 4.6 mt -59.09 -49.58 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.446 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.618 ' HA ' HD12 ' D' ' 113' ' ' LEU . 45.1 t -57.7 -33.61 68.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.853 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.748 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.93 -51.09 70.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.824 178.873 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.86 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.7 mt -63.54 -43.04 98.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.378 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.619 ' CD1' HG22 ' D' ' 109' ' ' ILE . 5.4 mt -56.99 -41.13 77.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.754 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.81 -51.22 69.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.986 0.422 . . . . 0.0 110.52 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.626 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.4 mp -59.92 -50.05 75.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.936 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.86 HG23 ' O ' ' D' ' 112' ' ' LEU . 47.8 t -58.3 -41.33 80.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.363 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 117' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -83.75 -6.95 59.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.857 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -65.24 136.52 56.72 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.872 0.368 . . . . 0.0 110.449 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 119' ' ' LYS . . . . . 0.656 ' HE3' ' HB1' ' B' ' 130' ' ' ALA . 0.9 OUTLIER -58.02 -58.34 8.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.433 -179.663 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 120' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' D' ' 120' ' ' ASP . 1.1 m-20 -60.72 -50.3 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.113 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.453 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 7.7 t80 -55.72 -43.31 76.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.65 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 122' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 5.5 mt-30 -57.72 -46.63 84.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.033 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.428 ' HB3' HG12 ' B' ' 127' ' ' ILE . 5.3 m120 -59.87 -46.07 90.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.912 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.8 -48.37 78.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.467 ' HB3' ' CD1' ' D' ' 86' ' ' ILE . 2.7 t80 -60.09 -36.7 77.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 126' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 22.6 mmtt -64.17 -36.35 83.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.651 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 1.041 HD11 HD11 ' B' ' 127' ' ' ILE . 10.0 mt -65.44 -49.75 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.119 0.485 . . . . 0.0 110.647 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.682 ' O ' ' HB ' ' D' ' 132' ' ' THR . 8.8 t-80 -67.3 -32.51 73.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.965 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.916 ' O ' HG23 ' D' ' 133' ' ' VAL . 17.0 m-20 -63.89 -60.8 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.9 -52.1 47.29 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.781 HG21 HG21 ' C' ' 57' ' ' ILE . 53.5 mt -53.54 -36.51 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.691 0.281 . . . . 0.0 110.548 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.682 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -63.18 -50.11 71.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.532 0.682 . . . . 0.0 109.167 178.287 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.916 HG23 ' O ' ' D' ' 129' ' ' ASN . 16.7 t -52.82 -51.2 38.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.801 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -30.89 71.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.243 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 135' ' ' MET . . . . . 0.415 ' HG3' ' HG3' ' C' ' 61' ' ' LYS . 28.4 ttm . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.929 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.79 0.329 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.782 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.3 mt-10 -67.82 -57.57 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HG2' HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -57.26 -43.38 83.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.74 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.42 -47.05 87.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.007 0.432 . . . . 0.0 110.004 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.505 ' NE2' HG23 ' A' ' 15' ' ' VAL . 28.1 tp60 -64.41 -34.71 78.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.507 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 8' ' ' GLU . 43.9 t -59.68 -49.02 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.56 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.594 ' HA ' HD12 ' A' ' 16' ' ' LEU . 13.1 mt -59.43 -42.85 92.83 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -28.49 68.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.397 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.757 HG22 ' CG ' ' D' ' 108' ' ' ASP . 3.5 t -74.12 -38.05 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.7 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.631 HD21 ' HD2' ' A' ' 38' ' ' PHE . 40.6 mt -64.17 -37.99 89.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.88 -45.58 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -61.2 -54.24 46.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.05 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.552 HD12 HD11 ' D' ' 112' ' ' LEU . 85.4 mt -53.39 -57.28 11.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.932 0.396 . . . . 0.0 110.47 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.66 ' HB2' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -49.9 -34.97 21.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.203 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.1 -48.28 76.87 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.13 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.747 ' HB3' HD22 ' D' ' 100' ' ' LEU . 1.9 mttp -60.15 -36.05 76.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.583 0.23 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.756 HD23 HD21 ' D' ' 100' ' ' LEU . 20.0 mt -64.59 -50.11 68.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.966 0.412 . . . . 0.0 110.498 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.5 -28.31 65.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.201 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.43 -32.49 28.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -83.15 -30.6 27.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.333 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.8 22.67 5.28 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.525 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 20.2 m-20 -113.11 78.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.987 0.422 . . . . 0.0 110.045 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.92 15.98 13.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.3 m -85.24 -40.51 16.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.426 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.433 ' OE1' ' HA ' ' D' ' 92' ' ' SER . 0.7 OUTLIER -81.64 -24.52 36.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.424 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -48.36 -43.54 33.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.759 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.69 -32.97 69.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.084 0.468 . . . . 0.0 109.919 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HA ' ' CD1' ' D' ' 84' ' ' LEU . 25.5 mmmt -72.05 -39.48 69.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.256 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 20' ' ' ARG . 2.0 mt -68.37 -31.26 70.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.508 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.32 -34.57 63.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.139 0.495 . . . . 0.0 109.845 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.054 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -75.19 -49.05 20.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.52 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.631 ' HD2' HD21 ' A' ' 16' ' ' LEU . 2.5 t80 -61.11 -46.5 90.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.135 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.517 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 1.3 t80 -57.39 -53.45 57.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.932 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.82 -52.3 64.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.172 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.8 m -55.89 -32.77 64.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.922 0.392 . . . . 0.0 110.601 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.498 HD22 ' HG2' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -68.21 -37.22 80.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.115 179.237 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -77.58 -30.72 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.529 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.415 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 53.8 m -39.53 127.47 1.43 Allowed Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.633 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 31.7 Cg_exo -58.26 -55.71 2.04 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.547 2.165 . . . . 0.0 112.358 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.759 HD11 HD11 ' C' ' 57' ' ' ILE . 1.3 tp -58.05 -46.15 85.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.582 ' CE2' HD11 ' A' ' 51' ' ' LEU . 46.1 t80 -58.99 -47.63 84.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.388 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -55.92 -33.2 64.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -65.94 -41.92 90.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.236 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.755 HG12 HD21 ' C' ' 53' ' ' LEU . 2.4 mt -59.58 -47.86 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.395 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.61 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.2 -37.68 88.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.119 179.381 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -53.65 -48.29 69.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.91 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.801 HD21 HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -58.81 -45.0 90.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.423 178.607 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.584 HE21 ' HB2' ' D' ' 124' ' ' ALA . 4.1 mm-40 -60.53 -35.62 76.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.123 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -59.75 -42.34 93.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.076 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -46.34 90.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.806 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.811 HG21 HG21 ' B' ' 131' ' ' ILE . 14.0 mt -61.84 -34.77 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.04 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -39.72 86.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.775 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -40.58 95.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.106 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -52.84 -54.53 33.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.589 179.404 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.436 ' HD2' HG22 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -59.59 -38.89 82.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.882 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.592 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.757 0.313 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.743 HD11 HG22 ' B' ' 133' ' ' VAL . 0.2 OUTLIER -93.67 -172.77 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.031 0.443 . . . . 0.0 111.304 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.836 HD13 ' HB3' ' C' ' 37' ' ' ALA . 0.7 OUTLIER -177.55 62.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.298 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -37.72 122.72 0.98 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.737 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.893 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -49.65 -24.84 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.88 -179.056 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.08 -48.26 81.0 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.656 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.5 -33.98 54.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.078 0.466 . . . . 0.0 109.995 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.7 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.15 -29.92 64.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.375 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 14.5 t80 -72.55 -50.3 26.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.044 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 2.1 m -61.78 -29.52 70.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.555 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 55.7 m -63.07 -53.2 57.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.447 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.7 OUTLIER -57.18 -36.57 70.98 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -59.6 -40.98 89.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.843 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -49.57 54.54 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.696 HG23 HD21 ' C' ' 23' ' ' LEU . 13.3 mt -52.39 -45.19 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.101 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.93 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.2 OUTLIER -58.97 -49.67 76.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.508 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.2 m170 -80.59 -3.75 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.493 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' THR . . . . . 0.42 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.4 m -97.08 -33.3 11.57 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.454 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.816 HD12 HD11 ' B' ' 109' ' ' ILE . 35.1 mt -87.21 -48.54 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.122 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.15 41.13 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.608 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.4 OUTLIER -105.71 19.92 19.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.848 179.6 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.3 -72.86 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.726 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.7 OUTLIER -58.53 -27.44 64.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.094 0.473 . . . . 0.0 109.907 179.288 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.868 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.5 OUTLIER -69.57 -44.35 71.02 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.078 179.259 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -32.88 72.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.048 0.451 . . . . 0.0 110.107 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.71 -42.47 73.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.798 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.776 ' HB3' HG13 ' C' ' 15' ' ' VAL . 1.7 m-20 -70.51 -43.46 69.59 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.93 HD13 ' HA ' ' B' ' 97' ' ' GLN . 4.0 mt -59.58 -48.65 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.315 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.605 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.2 m -56.11 -35.21 66.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.82 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.724 HD23 HG22 ' C' ' 12' ' ' VAL . 0.2 OUTLIER -56.71 -51.29 69.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.674 178.879 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.795 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.0 mt -63.06 -41.96 99.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.354 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.65 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.0 mt -57.96 -40.02 79.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.573 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.28 -52.04 66.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.671 HD21 HG21 ' C' ' 12' ' ' VAL . 0.9 OUTLIER -61.17 -48.08 83.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.414 0.626 . . . . 0.0 110.071 179.135 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.893 HG13 HG12 ' B' ' 86' ' ' ILE . 93.7 t -60.24 -36.41 68.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.539 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 42.2 mt-30 -88.06 -9.2 54.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 0.4 OUTLIER -58.14 150.7 20.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.687 0.279 . . . . 0.0 110.6 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -59.13 2.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.245 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -61.02 -46.54 90.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.3 t80 -55.94 -52.46 64.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.558 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -53.35 -38.76 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.798 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' ASN . . . . . 0.534 ' O ' HG13 ' B' ' 127' ' ' ILE . 11.5 m120 -62.19 -51.93 65.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.755 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -56.93 -49.04 76.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.374 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.532 ' CD1' HD12 ' B' ' 86' ' ' ILE . 15.0 t80 -56.27 -42.0 76.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.463 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 126' ' ' LYS . . . . . 0.425 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 0.5 OUTLIER -63.23 -37.71 88.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.651 -179.759 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 1.073 HD11 HD11 ' D' ' 127' ' ' ILE . 45.0 mt -59.23 -50.01 81.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.431 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.79 ' O ' ' HB ' ' B' ' 132' ' ' THR . 25.0 t-80 -62.8 -34.76 77.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.325 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.881 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.6 OUTLIER -55.23 -60.76 2.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.612 -179.471 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.33 -48.54 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.695 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.811 HG21 HG21 ' A' ' 57' ' ' ILE . 43.9 mt -55.87 -42.05 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.106 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.79 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.6 OUTLIER -61.68 -50.12 73.74 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.881 HG23 ' O ' ' B' ' 129' ' ' ASN . 49.7 t -55.61 -42.62 69.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.645 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.19 -31.06 72.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.176 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.6 ttm -66.68 -48.36 69.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.718 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 42.7 t30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.908 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.775 0.321 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.722 ' O ' HG23 ' C' ' 12' ' ' VAL . 1.4 mm-40 -62.0 -56.93 14.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.761 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -57.95 -41.32 82.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.625 179.71 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -53.09 60.76 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.921 ' O ' HG23 ' C' ' 15' ' ' VAL . 23.0 tp60 -57.61 -38.8 75.56 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.724 HG22 HD23 ' B' ' 111' ' ' LEU . 37.8 t -54.91 -54.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.883 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.596 HD13 ' HG3' ' C' ' 43' ' ' LYS . 13.3 mt -55.07 -41.53 71.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.09 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -28.33 66.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.552 178.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.921 HG23 ' O ' ' C' ' 11' ' ' GLN . 79.1 t -72.65 -38.07 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.861 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.739 HD23 HD13 ' B' ' 112' ' ' LEU . 32.6 mt -64.33 -43.36 94.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.622 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -68.71 -44.47 73.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.98 -54.65 44.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.96 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.6 HD12 HD11 ' B' ' 112' ' ' LEU . 92.0 mt -52.98 -56.93 12.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.31 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.686 ' CB ' HD12 ' C' ' 35' ' ' LEU . 1.7 tmm_? -48.57 -38.39 20.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.034 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.69 -50.43 67.82 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.237 -0.982 . . . . 0.0 111.825 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.698 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.2 mttm -59.76 -34.56 73.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.721 0.296 . . . . 0.0 111.05 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.696 HD21 HG23 ' B' ' 96' ' ' ILE . 18.8 mt -68.15 -49.99 57.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 110.626 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.435 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.3 OUTLIER -57.47 -28.07 63.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.334 179.516 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -82.74 -37.44 24.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.18 0.514 . . . . 0.0 110.221 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -74.45 -30.29 61.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.274 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.13 23.16 5.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.367 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 11.0 m-20 -116.25 79.45 1.31 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.994 0.426 . . . . 0.0 110.178 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.435 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -90.39 8.37 33.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.27 179.675 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 95.8 m -74.47 -42.18 59.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.47 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.644 ' HB3' HD11 ' B' ' 96' ' ' ILE . 1.9 mm-40 -78.02 -24.92 47.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -44.4 -51.38 8.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.92 -32.64 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.395 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' B' ' 84' ' ' LEU . 2.0 mmmm -72.92 -39.73 66.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.686 HD12 ' CB ' ' C' ' 20' ' ' ARG . 2.0 mt -70.0 -30.69 68.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.786 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -31.35 55.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.969 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.836 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -77.44 -47.83 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.493 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.46 ' CA ' HD22 ' B' ' 84' ' ' LEU . 3.3 t80 -65.44 -36.63 84.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.338 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.477 ' HA ' HD13 ' C' ' 16' ' ' LEU . 61.0 t80 -67.3 -52.99 33.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.324 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -52.34 66.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.336 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.441 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 97.1 m -56.81 -39.36 74.01 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.846 0.355 . . . . 0.0 110.582 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.59 ' HB3' HD21 ' C' ' 13' ' ' LEU . 0.3 OUTLIER -60.76 -36.41 78.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.24 179.212 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.596 ' HG3' HD13 ' C' ' 13' ' ' LEU . 18.6 mtpt -79.1 -32.72 44.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.602 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.8 134.29 4.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.319 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.45 -42.89 8.91 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.385 2.057 . . . . 0.0 112.12 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.587 HD13 HG12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -59.98 -55.17 37.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.182 179.562 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.888 ' CE1' HD21 ' C' ' 51' ' ' LEU . 26.1 t80 -58.77 -45.21 90.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.453 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -56.49 -35.2 67.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.573 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -65.71 -41.96 91.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.279 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.801 HG12 HD21 ' A' ' 53' ' ' LEU . 8.4 mt -59.16 -45.5 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.873 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.888 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -68.4 -35.75 78.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.461 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -53.92 -47.32 71.31 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.755 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -61.55 -47.67 84.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.623 178.652 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.626 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -59.03 -31.95 69.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.733 178.832 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -65.05 -38.3 90.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.916 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -60.65 -50.09 74.89 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.892 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 1.055 HG21 HG21 ' D' ' 131' ' ' ILE . 63.5 mt -59.96 -36.65 68.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.857 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -59.91 -36.71 77.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.96 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -66.39 -40.61 89.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.951 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.3 mt -54.47 -50.41 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.516 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.889 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.586 HD12 HG22 ' D' ' 132' ' ' THR . 1.5 mm . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.038 0.447 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 1.054 HD13 ' HB3' ' A' ' 37' ' ' ALA . 3.6 tp -146.78 53.41 1.1 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.5 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.87 126.48 2.49 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.445 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.757 HG12 HG13 ' D' ' 116' ' ' VAL . 0.7 OUTLIER -49.3 -25.01 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.823 -178.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -42.73 97.62 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.372 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.94 -39.13 35.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.24 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.719 HD11 HG21 ' D' ' 116' ' ' VAL . 0.1 OUTLIER -72.38 -28.83 63.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.545 179.61 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.53 ' CB ' ' O ' ' D' ' 86' ' ' ILE . 1.5 t80 -72.48 -47.14 51.07 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -64.11 -28.45 69.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.664 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 92' ' ' SER . . . . . 0.433 ' HA ' ' OE1' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -65.84 -49.21 68.99 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.621 179.613 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.7 OUTLIER -60.18 -39.18 85.57 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 120.975 0.417 . . . . 0.0 110.111 179.768 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -40.58 89.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.116 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 95' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' D' ' 99' ' ' THR . 0.2 OUTLIER -69.51 -48.98 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.293 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' D' ' 93' ' ' LEU . 20.6 mt -51.87 -47.88 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.06 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.908 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.9 OUTLIER -57.48 -49.55 75.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.222 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -81.39 -1.09 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.025 0.441 . . . . 0.0 110.646 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 99' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.4 m -99.82 -32.79 10.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.489 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.898 HD12 HD11 ' D' ' 109' ' ' ILE . 57.1 mt -89.31 -47.57 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.364 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.89 41.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.59 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 102' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' D' ' 104' ' ' GLN . 1.1 m-20 -104.43 18.03 22.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.988 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.6 -72.1 0.08 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.767 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 104' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -57.25 -33.06 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.178 0.513 . . . . 0.0 110.014 179.461 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.856 ' O ' HD12 ' D' ' 109' ' ' ILE . 85.0 p -68.01 -42.14 81.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.533 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -35.84 76.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.033 0.444 . . . . 0.0 110.457 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.08 -41.57 77.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.724 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.757 ' CG ' HG22 ' A' ' 15' ' ' VAL . 12.2 m-20 -70.54 -42.33 71.32 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.908 HD13 ' HA ' ' D' ' 97' ' ' GLN . 4.1 mt -59.74 -49.07 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.332 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.569 ' HA ' HD12 ' D' ' 113' ' ' LEU . 8.4 t -56.41 -34.85 67.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.823 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.753 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.79 -51.32 69.39 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.781 178.874 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.808 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.9 mt -63.63 -41.82 98.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.352 178.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.681 ' CD1' HG22 ' D' ' 109' ' ' ILE . 4.2 mt -57.5 -40.65 79.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.673 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.91 -52.18 65.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.461 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.686 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.3 mp -59.95 -51.07 71.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.124 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.808 HG23 ' O ' ' D' ' 112' ' ' LEU . 61.0 t -57.08 -33.66 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.376 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 117' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -94.47 -4.21 48.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.777 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.64 128.61 36.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.699 0.285 . . . . 0.0 110.428 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -50.12 -58.74 4.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.599 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.09 -49.14 78.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 10.3 t80 -55.78 -49.59 72.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.79 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 122' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 1.9 mt-30 -55.64 -37.81 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.469 ' HB3' HG12 ' B' ' 127' ' ' ILE . 6.4 m-20 -60.56 -51.06 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.709 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.943 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -57.2 -42.84 82.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.096 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.45 ' CG ' ' CD1' ' D' ' 86' ' ' ILE . 4.3 t80 -65.11 -38.88 92.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.44 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 126' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 17.4 mmtt -62.86 -35.53 80.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 1.073 HD11 HD11 ' B' ' 127' ' ' ILE . 7.9 mt -66.37 -49.89 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.655 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.2 t-80 -67.62 -38.81 84.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.788 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.944 ' O ' HG23 ' D' ' 133' ' ' VAL . 1.3 t30 -56.02 -60.8 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.969 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.13 41.06 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 1.055 HG21 HG21 ' C' ' 57' ' ' ILE . 65.8 mt -53.69 -35.74 27.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.349 . . . . 0.0 110.516 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.655 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.9 OUTLIER -63.81 -53.18 54.8 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.163 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.944 HG23 ' O ' ' D' ' 129' ' ' ASN . 21.8 t -52.97 -47.07 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.348 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.805 0.336 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.777 ' O ' HG23 ' A' ' 12' ' ' VAL . 36.2 mt-10 -66.23 -47.96 72.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.726 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.95 -44.75 96.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.515 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -48.59 79.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.072 0.463 . . . . 0.0 109.775 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.806 ' O ' HG23 ' A' ' 15' ' ' VAL . 29.7 tp60 -63.09 -33.79 76.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.859 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 8' ' ' GLU . 10.7 t -58.89 -56.69 15.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.564 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.88 HD13 ' HE2' ' A' ' 43' ' ' LYS . 19.1 mt -54.63 -42.09 70.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.438 . . . . 0.0 110.341 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -28.24 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.877 178.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.825 HG13 ' HB3' ' D' ' 108' ' ' ASP . 25.5 t -75.19 -37.84 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.096 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 13' ' ' LEU . 13.7 mt -64.59 -40.91 96.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.819 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -41.15 71.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.723 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -54.31 28.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.651 HD12 HD11 ' D' ' 112' ' ' LEU . 58.0 mt -54.37 -57.48 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.6 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.759 ' HB2' HD12 ' A' ' 35' ' ' LEU . 2.6 tmm_? -53.17 -33.78 54.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.718 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.97 -49.25 80.7 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.796 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.576 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.2 OUTLIER -61.65 -35.91 79.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 110.653 179.558 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 20' ' ' ARG . 39.1 mt -63.09 -50.44 70.52 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.723 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.407 ' HG2' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -56.59 -32.13 64.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.73 -26.24 32.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.237 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.431 ' CE ' ' HA ' ' D' ' 100' ' ' LEU . 11.6 mttm -79.28 -38.13 36.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.64 -7.67 11.13 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.567 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -94.35 86.66 4.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 110.254 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.55 15.15 13.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.849 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.6 m -78.2 -56.26 4.61 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.623 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.447 ' OE1' ' CE1' ' D' ' 95' ' ' HIS . 14.8 mp0 -72.78 -20.75 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 3.1 m-20 -50.79 -47.61 59.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -32.12 65.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.187 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -67.26 -45.96 75.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.252 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.759 HD12 ' HB2' ' A' ' 20' ' ' ARG . 1.4 mt -59.67 -32.0 70.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 t -76.48 -32.74 58.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.785 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.741 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.95 -46.37 62.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.495 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD2' HD21 ' A' ' 16' ' ' LEU . 3.1 t80 -68.79 -49.2 60.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.218 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.596 ' CA ' HD13 ' A' ' 16' ' ' LEU . 44.4 t80 -54.66 -54.51 40.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.339 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HA ' ' HG3' ' A' ' 43' ' ' LYS . 1.3 mm-40 -61.02 -52.23 65.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.7 m -54.86 -31.6 59.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.534 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.582 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -68.52 -34.98 76.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.4 179.472 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.88 ' HE2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -70.73 -32.2 69.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.71 126.0 6.51 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.304 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.35 -32.39 72.31 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.469 2.113 . . . . 0.0 112.143 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.694 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -66.27 -55.06 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.67 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.522 ' CE1' HD21 ' A' ' 51' ' ' LEU . 9.8 t80 -58.22 -43.4 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -57.73 -36.93 72.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.458 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -40.89 96.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.243 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.853 HG12 HD21 ' C' ' 53' ' ' LEU . 13.4 mt -59.21 -46.66 92.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.841 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.614 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -64.86 -37.57 88.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.321 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 m -53.42 -51.41 62.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.038 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.895 HD21 HG12 ' C' ' 50' ' ' ILE . 0.5 OUTLIER -58.55 -42.53 88.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.603 178.793 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.519 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 4.0 mm-40 -60.74 -37.58 82.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.194 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -59.77 -40.99 90.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.038 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 m -60.69 -45.99 92.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.767 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.947 HG21 HG21 ' B' ' 131' ' ' ILE . 12.0 mt -60.85 -34.67 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.149 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 14.4 mttm -59.95 -42.87 95.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.742 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -39.17 91.13 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.989 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.5 mt -56.78 -44.22 81.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.456 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.892 ' HE3' HG23 ' B' ' 131' ' ' ILE . 0.0 OUTLIER -59.82 -56.74 18.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.75 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.662 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.73 0.3 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.752 HD11 HG22 ' B' ' 133' ' ' VAL . 0.1 OUTLIER -94.53 -166.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.087 -179.741 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.803 ' CD2' HD22 ' B' ' 89' ' ' LEU . 7.2 tp -144.29 -39.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.242 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.31 114.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.538 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.929 HG12 HG13 ' B' ' 116' ' ' VAL . 1.1 mt -57.41 -25.03 23.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.574 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -64.16 -47.22 80.71 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.191 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -34.35 49.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.752 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.803 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.02 -30.44 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.409 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 14.9 t80 -72.42 -50.21 28.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.91 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -28.13 69.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.598 178.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 46.6 m -65.07 -51.48 61.22 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.784 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.729 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -57.71 -38.7 75.7 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.024 0.44 . . . . 0.0 109.976 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.425 ' HE3' HD22 ' B' ' 113' ' ' LEU . 0.6 OUTLIER -59.47 -41.66 90.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.772 179.316 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -67.36 -51.26 54.33 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.673 HG23 HD21 ' C' ' 23' ' ' LEU . 13.9 mt -51.23 -46.92 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.19 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.889 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.2 OUTLIER -57.82 -49.8 75.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.223 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.72 -3.12 49.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.038 0.446 . . . . 0.0 110.552 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.3 m -97.8 -33.15 11.37 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.451 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.92 HD21 HD23 ' C' ' 23' ' ' LEU . 44.9 mt -88.78 -48.29 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.396 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.94 41.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.404 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.47 16.48 26.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.997 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.52 -71.29 0.09 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.716 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -33.96 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 109.953 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.846 ' O ' HD12 ' B' ' 109' ' ' ILE . 6.8 p -67.78 -39.87 84.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.35 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' GLN . . . . . 0.413 ' H ' ' HG2' ' B' ' 106' ' ' GLN . 2.2 mm100 -60.28 -38.49 83.73 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.137 0.494 . . . . 0.0 110.023 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.7 -41.49 87.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.007 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.788 ' HB3' HG13 ' C' ' 15' ' ' VAL . 20.1 m-20 -70.26 -43.28 70.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.625 0.726 . . . . 0.0 109.046 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.889 HD13 ' HA ' ' B' ' 97' ' ' GLN . 4.0 mt -58.88 -48.94 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.268 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.582 ' HA ' HD12 ' B' ' 113' ' ' LEU . 54.8 m -56.85 -34.52 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.896 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.694 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.68 -51.42 68.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.68 178.879 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.897 HD22 HG13 ' C' ' 12' ' ' VAL . 1.8 mt -63.67 -41.71 98.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.374 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.652 ' CD1' HG22 ' B' ' 109' ' ' ILE . 4.9 mt -58.14 -39.48 78.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.675 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -61.57 -52.01 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.289 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.789 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.0 OUTLIER -60.89 -49.15 78.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.345 0.593 . . . . 0.0 109.909 179.067 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.929 HG13 HG12 ' B' ' 86' ' ' ILE . 98.8 t -56.61 -33.48 39.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.383 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 47.5 mt-30 -93.65 -8.16 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.42 137.94 58.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.659 0.266 . . . . 0.0 110.429 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' LYS . . . . . 0.458 ' O ' ' ND2' ' B' ' 123' ' ' ASN . 1.1 mmtp -59.18 -59.38 5.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.386 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -46.05 91.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.829 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.0 t80 -57.83 -50.97 71.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.689 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.03 -36.78 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.234 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' ASN . . . . . 0.593 ' O ' HG13 ' B' ' 127' ' ' ILE . 58.7 m-80 -63.58 -51.67 64.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.005 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.628 ' HB2' HE21 ' C' ' 54' ' ' GLN . . . -56.73 -49.52 74.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.0 0.429 . . . . 0.0 111.337 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.622 ' CG ' HD12 ' B' ' 86' ' ' ILE . 9.8 t80 -55.54 -38.55 69.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.813 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -31.58 71.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.706 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.972 HD11 HD11 ' D' ' 127' ' ' ILE . 5.5 mt -63.41 -49.72 81.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.041 0.448 . . . . 0.0 110.39 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.776 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.7 t-80 -66.69 -38.79 87.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.951 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.867 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.5 OUTLIER -55.3 -60.49 3.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.175 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 130' ' ' ALA . . . . . 0.766 ' HB1' ' CD ' ' D' ' 119' ' ' LYS . . . -65.45 -49.3 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 0.0 111.744 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.947 HG21 HG21 ' A' ' 57' ' ' ILE . 62.8 mt -57.65 -42.24 81.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.262 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.776 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -60.4 -45.44 93.59 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.251 0.548 . . . . 0.0 109.558 179.043 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 129' ' ' ASN . 60.3 t -56.93 -51.2 71.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.482 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.54 -30.79 71.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.245 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 14.8 ttm -56.05 -59.7 4.54 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.966 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.984 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.846 ' O ' HG23 ' C' ' 12' ' ' VAL . 2.6 mt-10 -63.12 -48.4 78.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.798 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.463 ' HG2' HD22 ' C' ' 42' ' ' LEU . 0.1 OUTLIER -51.64 -42.5 62.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.1 tpt -61.7 -52.41 64.42 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.753 ' O ' HG23 ' C' ' 15' ' ' VAL . 27.6 tp60 -59.74 -31.43 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.649 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.897 HG13 HD22 ' B' ' 112' ' ' LEU . 70.6 t -63.01 -46.64 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.474 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.717 ' HA ' HD12 ' C' ' 16' ' ' LEU . 14.6 mt -58.31 -46.82 85.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.058 0.456 . . . . 0.0 109.904 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -65.1 -28.5 69.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.483 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.788 HG13 ' HB3' ' B' ' 108' ' ' ASP . 21.3 t -74.21 -37.18 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.053 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' C' ' 13' ' ' LEU . 17.5 mt -64.53 -39.69 94.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.782 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.35 -45.02 66.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.03 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -61.14 -54.54 43.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.09 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 81.6 mt -53.63 -56.56 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.966 0.412 . . . . 0.0 110.15 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.636 ' CB ' HD12 ' C' ' 35' ' ' LEU . 5.6 tmm_? -48.77 -38.94 23.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.238 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.22 -47.03 93.19 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.117 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.749 ' HB3' HD22 ' B' ' 100' ' ' LEU . 0.4 OUTLIER -62.6 -36.9 84.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.494 0.188 . . . . 0.0 111.376 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.92 HD23 HD21 ' B' ' 100' ' ' LEU . 15.9 mt -64.86 -50.32 67.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 110.502 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.402 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.2 OUTLIER -59.71 -27.66 66.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.279 179.368 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -82.5 -32.61 28.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.678 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -83.64 -28.98 28.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.277 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.35 19.93 5.67 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.365 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 21.3 m-20 -109.15 76.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 0.0 110.167 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.402 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -89.95 10.17 24.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.32 179.659 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 89.5 m -78.51 -56.1 4.7 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.362 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.514 ' HB3' HD11 ' B' ' 96' ' ' ILE . 10.3 mp0 -70.14 -20.86 63.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.585 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ASN . . . . . 0.409 ' ND2' ' HG2' ' C' ' 20' ' ' ARG . 0.5 OUTLIER -44.07 -52.69 6.98 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.12 179.753 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -56.83 -32.79 66.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.517 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -66.35 -40.55 89.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.396 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.647 ' N ' HD23 ' C' ' 35' ' ' LEU . 2.0 mt -68.56 -33.33 73.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.412 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -31.51 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.876 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.678 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -75.0 -44.61 47.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.553 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.737 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 3.7 t80 -69.75 -44.59 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.459 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.588 ' CA ' HD13 ' C' ' 16' ' ' LEU . 2.0 t80 -59.8 -53.18 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.053 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.76 -52.08 66.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.001 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.455 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 92.7 m -57.45 -36.14 71.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.849 0.357 . . . . 0.0 110.532 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.737 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 2.1 mt -63.65 -34.0 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.17 0.51 . . . . 0.0 109.948 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.455 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 22.1 mtpt -84.25 -29.78 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.666 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 44' ' ' SER . . . . . 0.429 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 31.2 t -44.35 135.63 4.26 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.395 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 45' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 25.1 Cg_exo -61.72 -48.18 9.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.468 2.112 . . . . 0.0 112.017 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.579 HD13 HG12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.83 -55.06 39.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.551 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.607 ' CE1' HD21 ' C' ' 51' ' ' LEU . 16.4 t80 -56.77 -46.83 81.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.624 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -55.97 -36.95 68.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.592 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -63.75 -41.19 98.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.895 HG12 HD21 ' A' ' 53' ' ' LEU . 26.4 mt -60.85 -47.16 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.609 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -67.63 -34.64 77.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.243 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -53.85 -54.02 44.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.993 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.853 HD21 HG12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -58.3 -46.27 86.41 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.602 178.758 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.628 HE21 ' HB2' ' B' ' 124' ' ' ALA . 4.3 mt-30 -60.17 -31.25 69.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.911 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -41.68 99.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.651 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -60.77 -43.77 97.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.459 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.768 ' HA ' HD12 ' C' ' 60' ' ' LEU . 5.7 mt -61.41 -34.64 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.825 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -43.34 95.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.614 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -42.17 95.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.102 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.0 OUTLIER -51.83 -54.8 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.507 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 61' ' ' LYS . . . . . 0.844 ' HE3' HG23 ' D' ' 131' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.036 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.808 HD11 HG22 ' D' ' 133' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.605 0.241 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 0.79 ' CD2' HD22 ' D' ' 89' ' ' LEU . 14.2 tp -139.55 -41.6 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.446 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.85 110.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.2 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.918 HG12 HG13 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -55.36 -25.69 17.67 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.768 -179.063 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.53 -47.23 82.49 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.075 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -33.6 54.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.683 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.79 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -72.15 -30.01 64.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.271 179.396 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.564 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 8.3 t80 -72.38 -50.31 27.49 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.941 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -62.94 -28.77 70.3 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 35.3 m -63.24 -53.22 56.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.722 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.797 ' HA ' HD12 ' D' ' 96' ' ' ILE . 0.8 OUTLIER -58.18 -37.29 74.46 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 94' ' ' LYS . . . . . 0.433 ' HE2' ' CE1' ' D' ' 90' ' ' PHE . 0.6 OUTLIER -59.52 -37.2 77.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 95' ' ' HIS . . . . . 0.447 ' CE1' ' OE1' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -72.36 -48.54 40.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.107 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' D' ' 93' ' ' LEU . 12.0 mt -55.41 -43.12 70.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.612 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.858 ' HA ' HD13 ' D' ' 109' ' ' ILE . 12.7 pt20 -63.13 -43.5 98.21 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.557 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 98' ' ' HIS . . . . . 0.418 ' N ' ' HG3' ' D' ' 97' ' ' GLN . 2.4 m80 -86.02 -0.89 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.451 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 99' ' ' THR . . . . . 0.433 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.6 m -102.61 -32.64 9.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.495 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.915 HD12 HD11 ' D' ' 109' ' ' ILE . 78.4 mt -90.97 -48.75 6.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.288 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.53 34.98 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.654 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.81 19.18 11.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.928 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.93 -70.15 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -32.94 70.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.101 0.476 . . . . 0.0 109.971 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.801 ' O ' HD12 ' D' ' 109' ' ' ILE . 90.9 p -70.05 -40.05 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.622 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -62.92 -34.74 78.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 110.359 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.89 -40.75 72.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.427 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.825 ' HB3' HG13 ' A' ' 15' ' ' VAL . 15.2 m-20 -70.93 -40.96 71.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.753 0.787 . . . . 0.0 109.119 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.915 HD11 HD12 ' D' ' 100' ' ' LEU . 5.3 mt -62.38 -49.52 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.551 178.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.636 ' HA ' HD12 ' D' ' 113' ' ' LEU . 12.3 t -55.96 -37.94 69.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.306 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.568 HD23 HD23 ' D' ' 112' ' ' LEU . 7.0 tt -56.92 -50.25 73.13 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.844 ' O ' HG23 ' D' ' 116' ' ' VAL . 4.0 mt -61.49 -43.83 98.17 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' D' ' 110' ' ' SER . 5.1 mt -55.5 -39.25 70.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.346 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.83 -52.1 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.398 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.61 ' CD2' HG21 ' A' ' 12' ' ' VAL . 2.8 mp -59.53 -49.38 78.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.351 0.596 . . . . 0.0 109.945 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.918 HG13 HG12 ' D' ' 86' ' ' ILE . 61.8 t -55.45 -36.99 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.676 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.468 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 53.9 mt-30 -89.18 -10.3 47.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 118' ' ' ASN . . . . . 0.443 HD21 ' HA ' ' D' ' 118' ' ' ASN . 0.1 OUTLIER -61.25 127.59 32.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 0.0 110.48 179.56 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 119' ' ' LYS . . . . . 0.766 ' CD ' ' HB1' ' B' ' 130' ' ' ALA . 0.4 OUTLIER -52.23 -58.95 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.532 -179.313 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.52 -47.47 85.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.0 t80 -55.93 -51.87 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.753 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -38.85 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.995 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 123' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -59.99 -48.65 80.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.921 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -58.77 -49.22 78.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.015 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.647 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 2.9 t80 -60.31 -40.34 90.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.463 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -35.68 81.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.626 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 0.972 HD11 HD11 ' B' ' 127' ' ' ILE . 10.6 mt -64.06 -49.63 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.01 0.433 . . . . 0.0 110.444 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.686 ' O ' ' HB ' ' D' ' 132' ' ' THR . 20.2 t-80 -63.18 -45.63 90.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.317 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.882 ' O ' HG23 ' D' ' 133' ' ' VAL . 25.6 t-20 -55.31 -60.81 2.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.67 -52.0 65.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.844 HG23 ' HE3' ' C' ' 61' ' ' LYS . 52.8 mt -56.11 -40.78 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.357 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.686 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -60.67 -43.96 97.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.263 0.554 . . . . 0.0 109.565 178.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.882 HG23 ' O ' ' D' ' 129' ' ' ASN . 50.5 t -55.65 -51.66 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.542 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -64.02 -30.71 71.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.107 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.2 ttm . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.081 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.807 0.337 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.737 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.5 mm-40 -67.86 -53.39 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.487 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.3 tttt -53.76 -43.35 69.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 mmt -60.64 -44.5 96.32 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.508 ' NE2' HG23 ' A' ' 15' ' ' VAL . 25.1 tp60 -68.23 -31.37 70.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.662 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.746 HG21 ' CD2' ' D' ' 115' ' ' LEU . 60.8 t -62.69 -56.34 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.637 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.86 ' HA ' HD12 ' A' ' 16' ' ' LEU . 20.7 mt -55.49 -42.6 74.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.046 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -69.63 -28.24 65.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.555 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.817 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.1 t -73.66 -37.02 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.942 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 13' ' ' LEU . 10.7 mt -64.75 -45.19 87.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.992 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -67.67 -39.26 84.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.777 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -53.21 18.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.649 HD12 HD11 ' D' ' 112' ' ' LEU . 35.8 mt -52.28 -57.8 8.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.045 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.839 ' CB ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -56.88 -37.85 71.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.258 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 24' ' ' GLN . . . -57.43 -44.4 93.64 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.544 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.619 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.7 OUTLIER -62.72 -41.1 98.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.2 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.653 HD21 HG23 ' D' ' 96' ' ' ILE . 23.4 mt -62.96 -50.43 70.82 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.681 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -54.47 -31.16 55.18 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.271 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.481 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 1.1 mm-40 -83.38 -32.11 26.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.886 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 22' ' ' LYS . 7.5 mttt -73.67 -31.8 63.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.991 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.37 6.47 9.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.288 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -110.94 82.97 1.68 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.947 0.404 . . . . 0.0 110.051 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.55 HG22 ' ND2' ' A' ' 32' ' ' ASN . 0.2 OUTLIER -95.61 32.26 1.86 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.282 0.563 . . . . 0.0 109.637 179.701 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.3 m -101.09 -40.5 7.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.466 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.647 ' HB3' HD11 ' D' ' 96' ' ' ILE . 3.2 mm-40 -72.36 -26.16 61.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.583 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.55 ' ND2' HG22 ' A' ' 29' ' ' THR . 33.6 p-10 -47.98 -46.32 32.48 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -32.89 66.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.061 0.458 . . . . 0.0 110.007 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -75.85 -44.64 39.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.876 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.839 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.3 mt -63.4 -31.45 72.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.128 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.4 m -77.09 -32.59 56.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.636 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.785 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.98 -48.07 55.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.436 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 4.5 t80 -66.72 -46.37 75.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.343 0.592 . . . . 0.0 109.843 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.66 ' CA ' HD13 ' A' ' 16' ' ' LEU . 11.4 t80 -58.04 -53.42 58.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.792 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.82 -52.07 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.644 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.3 m -57.05 -33.01 66.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.326 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.696 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -65.12 -36.02 82.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.993 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.834 ' HE2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.96 -29.77 64.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.779 179.597 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.6 t -45.42 125.9 6.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.443 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -60.5 -46.69 16.49 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.28 1.987 . . . . 0.0 111.718 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.659 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.2 OUTLIER -57.77 -53.09 62.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.325 179.708 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.92 ' CE1' HD21 ' A' ' 51' ' ' LEU . 12.6 t80 -58.19 -48.08 81.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.377 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -55.98 -37.08 68.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.57 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -61.61 -44.07 97.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.262 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.8 HG12 HD21 ' C' ' 53' ' ' LEU . 6.9 mt -58.61 -43.09 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.796 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.92 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -68.67 -36.93 79.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.8 m -53.66 -50.66 65.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.1 0.476 . . . . 0.0 110.014 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.818 HD21 HG12 ' C' ' 50' ' ' ILE . 0.6 OUTLIER -60.71 -45.85 92.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.705 178.778 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.624 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 3.9 mt-30 -60.65 -32.88 72.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.401 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -63.63 -40.53 97.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 t -60.77 -43.15 98.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.455 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.962 HG21 HG21 ' B' ' 131' ' ' ILE . 7.7 mt -61.58 -36.86 75.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.044 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -60.53 -38.58 84.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.742 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -63.94 -40.5 96.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.99 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -55.42 -49.06 73.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.671 179.335 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -59.73 -49.07 79.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.621 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.796 0.332 . . . . 0.0 110.636 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.857 HD11 HG22 ' B' ' 133' ' ' VAL . 0.2 OUTLIER -91.73 -165.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.84 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 1.004 HD13 ' HB3' ' C' ' 37' ' ' ALA . 69.6 tp -141.38 -45.0 0.37 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.832 0.348 . . . . 0.0 111.541 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.06 100.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.087 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.794 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -49.88 -27.51 3.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.578 -179.4 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.01 -46.09 89.29 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.276 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -77.15 -36.54 55.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.129 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.75 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.43 -29.7 63.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.607 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.46 -46.82 53.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.132 0.492 . . . . 0.0 109.849 179.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 59.7 m -61.51 -34.01 74.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.678 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' SER . . . . . 0.811 ' C ' HD12 ' B' ' 96' ' ' ILE . 0.6 OUTLIER -62.31 -53.5 54.16 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.631 179.485 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.742 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.6 OUTLIER -55.02 -35.65 64.65 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -45.37 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.571 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.429 ' CE1' ' HG1' ' B' ' 99' ' ' THR . 2.3 t60 -66.86 -55.66 13.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.811 HD12 ' C ' ' B' ' 92' ' ' SER . 4.1 mt -50.86 -33.55 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.19 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.608 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.5 OUTLIER -65.18 -48.68 72.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.94 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.22 -21.64 49.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.002 0.43 . . . . 0.0 110.419 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 99' ' ' THR . . . . . 0.429 ' HG1' ' CE1' ' B' ' 95' ' ' HIS . 1.4 m -84.67 -33.36 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.273 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.681 HD12 ' CG2' ' B' ' 96' ' ' ILE . 94.1 mt -108.48 79.96 1.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.79 38.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.122 -178.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.63 17.41 5.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.925 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' B' ' 106' ' ' GLN . 5.9 m 70.91 -68.2 0.22 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.783 0.325 . . . . 0.0 111.041 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -30.58 70.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.471 . . . . 0.0 109.828 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.686 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.2 OUTLIER -72.08 -47.01 54.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.748 179.52 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 106' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' B' ' 103' ' ' SER . 5.0 pt20 -61.65 -30.25 70.59 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.872 0.367 . . . . 0.0 110.232 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -71.18 -41.21 70.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.282 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.71 ' HB3' HG13 ' C' ' 15' ' ' VAL . 30.8 m-20 -70.27 -41.34 73.59 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.686 HD12 ' O ' ' B' ' 105' ' ' SER . 4.8 mt -60.23 -49.46 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.494 178.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.622 ' HA ' HD12 ' B' ' 113' ' ' LEU . 49.4 m -56.39 -34.41 66.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.605 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.502 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.69 -51.45 68.72 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.828 178.779 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.858 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.1 mt -62.82 -43.72 98.04 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' B' ' 110' ' ' SER . 5.5 mt -56.1 -40.76 74.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.782 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.97 -51.82 66.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.474 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.4 mp -60.13 -50.32 74.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.215 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.858 HG23 ' O ' ' B' ' 112' ' ' LEU . 43.3 t -59.37 -35.89 60.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.473 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -89.57 -6.38 56.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.664 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.05 151.62 42.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.553 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.12 -58.65 3.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.232 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' ASP . . . . . 0.493 ' OD2' HD13 ' D' ' 131' ' ' ILE . 0.8 OUTLIER -61.49 -47.35 86.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.961 -179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 9.8 t80 -55.59 -51.07 68.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.651 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 122' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 71.3 mt-30 -54.23 -41.19 68.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' ASN . . . . . 0.429 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.5 OUTLIER -59.65 -49.66 76.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.9 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.11 -45.02 87.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.008 0.432 . . . . 0.0 110.965 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.509 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 1.9 t80 -59.91 -38.4 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 126' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 2.8 mmtt -65.08 -38.47 90.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.71 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 1.026 HD11 HD11 ' D' ' 127' ' ' ILE . 18.5 mt -60.83 -49.46 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.123 0.487 . . . . 0.0 110.465 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.717 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.5 t-80 -66.88 -28.68 68.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.904 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.4 t30 -64.67 -60.95 2.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.39 -50.78 62.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.962 HG21 HG21 ' A' ' 57' ' ' ILE . 64.8 mt -53.75 -41.59 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 121.25 -0.18 . . . . 0.0 111.191 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.717 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -61.81 -48.66 79.63 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.737 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 129' ' ' ASN . 39.8 t -55.61 -51.22 60.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.799 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -63.47 -30.85 71.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.271 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 15.9 ttm -56.66 -54.3 47.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.899 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.912 0.387 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.768 ' O ' HG23 ' C' ' 12' ' ' VAL . 14.9 mt-10 -62.51 -54.39 40.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.5 tmmm? -59.1 -43.18 91.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.56 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.2 tpt -61.47 -49.2 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.495 ' NE2' HG23 ' C' ' 15' ' ' VAL . 30.3 tp60 -62.8 -33.19 74.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.74 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.768 HG23 ' O ' ' C' ' 8' ' ' GLU . 25.4 t -60.7 -56.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.509 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.652 HD21 HD22 ' C' ' 42' ' ' LEU . 15.6 mt -53.53 -42.4 67.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 110.365 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -28.4 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.739 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.823 ' CG1' HD21 ' B' ' 112' ' ' LEU . 3.2 t -75.13 -36.36 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.906 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.544 HD11 ' CD1' ' C' ' 42' ' ' LEU . 69.2 mt -64.29 -42.62 96.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -70.09 -44.93 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.979 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -54.52 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.269 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.755 HD12 HD11 ' B' ' 112' ' ' LEU . 65.9 mt -54.85 -56.99 13.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.429 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.74 ' HB3' HD12 ' C' ' 35' ' ' LEU . 0.2 OUTLIER -54.55 -30.29 53.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.764 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.21 -43.39 80.31 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.229 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.418 ' CB ' ' CD2' ' B' ' 100' ' ' LEU . 2.4 mmtp -59.39 -37.33 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 110.492 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.69 HD13 ' HB2' ' C' ' 31' ' ' GLN . 22.9 mt -66.37 -50.07 64.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.506 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.555 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -57.36 -27.3 62.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.324 179.405 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.75 -33.9 27.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.441 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -80.45 -30.65 37.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.403 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.56 20.96 3.75 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.684 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -116.44 81.89 1.7 Allowed 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.983 0.421 . . . . 0.0 110.05 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.555 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -90.12 8.67 31.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.394 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -86.74 -42.8 13.05 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.306 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.69 ' HB2' HD13 ' C' ' 23' ' ' LEU . 3.4 mp0 -72.41 -22.5 61.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.502 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.91 -38.18 75.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.452 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.74 -42.13 78.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.848 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.422 ' HG2' ' CB ' ' B' ' 92' ' ' SER . 0.0 OUTLIER -60.56 -55.07 37.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.048 178.885 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.1 mt -57.96 -33.7 69.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.422 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -77.12 -32.48 56.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.013 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 1.004 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.18 -42.05 66.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.431 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.729 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 7.4 t80 -71.72 -47.43 53.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.467 0.651 . . . . 0.0 109.769 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.472 ' CZ ' ' NZ ' ' C' ' 43' ' ' LYS . 80.7 t80 -53.55 -53.12 56.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.316 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.51 -52.31 65.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.971 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.817 HG22 ' CD2' ' C' ' 47' ' ' PHE . 86.6 m -59.66 -33.32 71.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 110.374 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.729 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 0.3 OUTLIER -62.67 -36.74 83.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.983 179.182 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.638 ' HE2' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -71.27 -33.32 69.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.408 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 27.9 m -45.95 124.66 6.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.162 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.46 -42.41 34.09 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.237 1.958 . . . . 0.0 111.5 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -57.82 -55.56 33.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.629 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.817 ' CD2' HG22 ' C' ' 41' ' ' THR . 10.6 t80 -60.89 -41.99 97.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.329 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -58.45 -34.99 71.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.343 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -67.48 -39.45 85.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.323 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.818 HG12 HD21 ' A' ' 53' ' ' LEU . 40.3 mt -59.73 -44.75 94.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.804 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.64 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -67.23 -36.81 82.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.329 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 73.4 m -53.99 -50.41 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.992 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.8 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -59.45 -46.31 89.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.894 178.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.482 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -60.46 -33.52 72.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.942 179.151 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -40.03 95.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.85 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.97 -48.0 83.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.739 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.902 HG21 HG21 ' D' ' 131' ' ' ILE . 6.5 mt -60.27 -35.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.048 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -61.7 -36.37 80.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.623 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.02 -39.87 90.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.775 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.8 OUTLIER -53.81 -55.11 29.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.389 179.265 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.011 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.762 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.121 0.486 . . . . 0.0 111.244 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 0.822 ' CD2' HD22 ' D' ' 89' ' ' LEU . 9.5 tp -145.46 -32.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.354 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.36 109.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.741 0.305 . . . . 0.0 110.41 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.918 HG12 HG13 ' D' ' 116' ' ' VAL . 0.8 OUTLIER -55.99 -28.76 25.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.812 -179.315 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.11 -44.97 94.18 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.347 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -34.82 50.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.839 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.822 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -72.13 -29.67 64.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.37 179.287 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 13.6 t80 -72.29 -50.25 28.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.941 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 35.7 m -62.03 -30.17 70.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.642 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -62.77 -52.13 64.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.354 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.759 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.7 OUTLIER -57.24 -36.89 71.5 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.488 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -59.92 -38.46 82.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.826 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -50.47 32.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.653 HG23 HD21 ' A' ' 23' ' ' LEU . 10.2 mt -55.75 -39.72 57.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.09 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.899 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.72 -50.97 68.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.99 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -80.99 -1.37 43.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.541 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.5 m -100.7 -33.86 10.1 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.752 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.977 HD12 HD11 ' D' ' 109' ' ' ILE . 36.4 mt -87.91 -51.78 5.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.31 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.35 36.09 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.812 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 102' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.3 OUTLIER -99.84 23.17 10.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.765 179.661 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.73 -72.02 0.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.749 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 104' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -59.74 -31.27 69.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.032 0.444 . . . . 0.0 109.876 179.338 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.74 ' OG ' HD13 ' D' ' 100' ' ' LEU . 0.6 OUTLIER -69.86 -40.82 75.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.445 179.429 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -32.26 73.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.075 0.464 . . . . 0.0 110.129 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -71.05 -40.78 71.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.417 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.775 ' CG ' HG22 ' A' ' 15' ' ' VAL . 70.4 m-20 -70.65 -44.43 67.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.802 0.811 . . . . 0.0 108.813 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.977 HD11 HD12 ' D' ' 100' ' ' LEU . 6.3 mt -60.43 -49.07 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.73 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.656 ' HA ' HD12 ' D' ' 113' ' ' LEU . 7.8 m -57.56 -34.06 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.353 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.65 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -59.39 -51.42 70.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.1 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.882 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.9 mt -61.67 -43.34 99.05 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' D' ' 110' ' ' SER . 6.1 mt -55.22 -50.3 69.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.489 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 114' ' ' GLN . . . . . 0.414 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 6.8 mt-30 -61.32 -44.26 97.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.396 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.746 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.6 mp -60.11 -37.98 81.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.966 179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.918 HG13 HG12 ' D' ' 86' ' ' ILE . 83.2 t -69.24 -53.73 23.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.625 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -63.21 -18.89 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.793 -179.326 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 118' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' D' ' 115' ' ' LEU . 2.6 m120 -53.15 114.3 1.42 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.789 0.328 . . . . 0.0 110.534 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 119' ' ' LYS . . . . . 0.488 ' HG2' ' N ' ' D' ' 120' ' ' ASP . 0.0 OUTLIER -47.99 -47.51 33.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.934 -179.143 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 120' ' ' ASP . . . . . 0.488 ' N ' ' HG2' ' D' ' 119' ' ' LYS . 0.9 OUTLIER -65.94 -50.66 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.111 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 2.9 t80 -59.58 -44.86 93.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.03 0.443 . . . . 0.0 110.288 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 122' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 7.9 tt0 -55.96 -41.7 75.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.235 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.476 ' HB3' HG12 ' B' ' 127' ' ' ILE . 21.9 m120 -64.81 -42.46 94.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.766 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.867 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -57.55 -49.23 77.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.086 0.47 . . . . 0.0 110.864 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.562 ' CG ' HD12 ' D' ' 86' ' ' ILE . 11.4 t80 -59.37 -37.44 77.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.988 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 126' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 5.7 mmpt? -63.92 -36.22 83.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.665 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 1.026 HD11 HD11 ' B' ' 127' ' ' ILE . 15.4 mt -64.66 -49.37 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.656 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.645 ' O ' ' HB ' ' D' ' 132' ' ' THR . 21.0 t-80 -64.08 -50.16 69.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.805 ' O ' HG23 ' D' ' 133' ' ' VAL . 63.1 t-20 -55.59 -58.7 6.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.723 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.75 -52.16 66.9 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.902 HG21 HG21 ' C' ' 57' ' ' ILE . 60.9 mt -59.59 -43.41 90.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.234 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.762 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -62.62 -46.69 87.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.106 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.805 HG23 ' O ' ' D' ' 129' ' ' ASN . 92.0 t -58.08 -48.05 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.096 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -63.16 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.011 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 4.9 ttm . . . . . 0 C--N 1.332 -0.163 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.349 179.473 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.825 0.345 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.709 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.0 mt-10 -64.75 -56.83 11.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.2 tmmm? -61.06 -43.82 98.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.603 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 tpt -61.6 -46.91 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.507 ' O ' HG23 ' A' ' 15' ' ' VAL . 28.6 tp60 -62.73 -38.76 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 8' ' ' GLU . 17.7 t -54.92 -54.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.524 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.791 ' HA ' HD12 ' A' ' 16' ' ' LEU . 14.5 mt -53.93 -45.11 71.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.287 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -28.72 68.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.979 178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.761 HG13 ' HB3' ' D' ' 108' ' ' ASP . 10.7 t -73.31 -37.73 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.895 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 13' ' ' LEU . 12.3 mt -64.3 -43.14 95.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.138 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -72.18 -33.08 67.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -53.66 13.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.713 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.705 HD12 HD11 ' D' ' 112' ' ' LEU . 85.4 mt -55.44 -57.19 12.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 0.0 110.622 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.837 ' HA ' HD12 ' A' ' 23' ' ' LEU . 2.1 ppt_? -56.24 -35.07 66.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.823 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 24' ' ' GLN . . . -61.68 -43.82 98.74 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.489 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.638 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.0 OUTLIER -64.33 -34.88 79.17 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.283 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 20' ' ' ARG . 14.8 mt -68.57 -50.09 54.48 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.275 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -57.76 -26.99 62.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.188 179.437 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 4.2 mm-40 -82.51 -32.09 28.91 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.165 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.1 OUTLIER -77.19 -39.03 50.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.08 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.79 -4.3 5.75 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.721 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.496 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 86.1 m-20 -100.49 80.06 2.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.327 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.73 5.91 33.97 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.144 0.497 . . . . 0.0 110.005 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.9 m -69.05 -54.18 16.46 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.45 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' HB3' HD11 ' D' ' 96' ' ' ILE . 17.8 mp0 -71.63 -23.99 61.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.144 179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -54.23 -46.36 72.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.346 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -32.83 66.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.176 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.495 ' O ' HD13 ' D' ' 84' ' ' LEU . 4.3 mmmm -66.03 -47.45 74.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.212 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.694 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.2 mt -61.46 -30.9 70.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.489 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -76.53 -31.88 57.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.868 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.9 -48.56 44.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.485 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.948 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 5.5 t80 -69.15 -40.71 78.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.194 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.639 ' HA ' HD13 ' A' ' 16' ' ' LEU . 2.0 t80 -58.9 -53.38 59.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.776 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -59.32 -38.71 80.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.557 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.543 HG22 ' CZ ' ' A' ' 47' ' ' PHE . 91.7 m -63.08 -45.85 90.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.514 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.948 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 6.2 mt -60.2 -32.58 71.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.207 0.527 . . . . 0.0 110.396 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.461 ' CD ' ' CE1' ' A' ' 39' ' ' TYR . 23.0 mtpt -77.63 -29.9 52.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.663 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 47' ' ' PHE . 49.2 m -45.43 142.21 3.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.329 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -62.52 -64.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.54 2.16 . . . . 0.0 112.87 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.9 HD13 HG12 ' C' ' 57' ' ' ILE . 0.3 OUTLIER -57.35 -34.36 68.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.722 -179.783 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.543 ' CZ ' HG22 ' A' ' 41' ' ' THR . 31.9 t80 -63.28 -47.35 82.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.115 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -55.55 -35.56 65.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.903 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -64.65 -40.17 94.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.289 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.741 HG12 HD21 ' C' ' 53' ' ' LEU . 1.9 mt -62.98 -44.67 99.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.752 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.562 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -70.68 -43.2 69.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.55 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.8 m -54.92 -45.87 74.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.39 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.803 HD21 HG12 ' C' ' 50' ' ' ILE . 1.1 tt -62.29 -47.71 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.287 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.628 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.3 OUTLIER -58.72 -42.57 89.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.752 179.521 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.95 -33.3 74.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.396 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.77 -42.31 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.764 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.718 HG21 HG21 ' B' ' 131' ' ' ILE . 2.4 mt -61.15 -44.0 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.152 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -55.13 -44.32 74.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.259 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -58.92 -41.12 86.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.093 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.683 HD13 HD21 ' C' ' 46' ' ' LEU . 1.6 mt -61.54 -41.46 97.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.615 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HZ3' HG23 ' B' ' 131' ' ' ILE . 0.1 OUTLIER -59.27 -43.3 92.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.983 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.52 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 120.814 0.34 . . . . 0.0 110.148 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.939 HG21 ' HA ' ' B' ' 129' ' ' ASN . 0.2 OUTLIER -84.85 -172.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.033 -179.713 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' B' ' 89' ' ' LEU . 2.2 pt? -165.95 21.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.562 ' O ' ' O ' ' B' ' 84' ' ' LEU . 2.1 mm-40 44.44 113.16 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.95 0.405 . . . . 0.0 111.869 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.93 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -51.51 -27.42 7.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -42.25 99.2 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.059 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.79 -40.61 40.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.701 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.765 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.2 OUTLIER -73.16 -28.18 62.08 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.639 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 18.6 t80 -69.37 -48.26 61.81 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 25.0 t -64.38 -29.34 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -50.62 68.38 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.522 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.805 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.7 OUTLIER -59.15 -37.82 78.23 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.89 0.376 . . . . 0.0 110.029 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.71 -38.87 82.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.839 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.416 ' CE1' ' OD2' ' C' ' 28' ' ' ASP . 0.1 OUTLIER -72.06 -46.28 57.54 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.284 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.805 HD12 ' HA ' ' B' ' 93' ' ' LEU . 19.4 mt -54.63 -44.81 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.863 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.933 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -58.42 -48.47 80.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.505 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.24 -0.96 51.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.015 0.436 . . . . 0.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' THR . . . . . 0.494 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 2.8 m -100.42 -31.24 11.4 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.427 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.706 HD12 HD11 ' B' ' 109' ' ' ILE . 26.3 mt -92.51 -49.7 5.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.212 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.85 34.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.716 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 102' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' B' ' 104' ' ' GLN . 11.1 m-20 -96.96 19.93 11.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.79 -70.85 0.1 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.65 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -59.42 -29.16 67.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.041 0.448 . . . . 0.0 110.013 179.202 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.825 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -70.7 -42.94 69.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.642 179.505 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -62.08 -35.73 79.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.402 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.75 -40.93 75.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.724 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.783 ' CG ' HG22 ' C' ' 15' ' ' VAL . 50.1 m-20 -70.56 -43.17 70.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.768 0.794 . . . . 0.0 108.951 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.933 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.0 mt -59.7 -49.13 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.504 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.584 ' HA ' HD12 ' B' ' 113' ' ' LEU . 6.0 t -56.07 -35.69 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.913 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.728 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.67 -51.33 69.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.958 178.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.814 HD21 ' CG1' ' C' ' 15' ' ' VAL . 1.6 mt -63.51 -39.51 94.61 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.639 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.2 mt -60.31 -39.63 87.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.441 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -52.33 64.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.568 ' CD2' HG21 ' C' ' 12' ' ' VAL . 0.8 OUTLIER -60.98 -50.62 72.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.276 0.56 . . . . 0.0 109.8 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.93 HG13 HG12 ' B' ' 86' ' ' ILE . 73.9 t -53.7 -36.04 28.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.513 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 53.0 mt-30 -90.91 -9.97 44.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.32 130.21 45.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.782 0.325 . . . . 0.0 110.418 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -58.91 4.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.653 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.75 -49.8 73.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.189 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.491 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.4 t80 -55.46 -56.1 24.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.34 . . . . 0.0 110.679 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -51.67 -37.12 49.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' ASN . . . . . 0.492 ' HB3' HG12 ' D' ' 127' ' ' ILE . 3.7 m-20 -62.04 -51.86 66.3 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.771 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.592 ' HB2' ' NE2' ' C' ' 54' ' ' GLN . . . -56.89 -49.31 75.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.241 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.607 ' HB3' HD12 ' B' ' 86' ' ' ILE . 40.1 t80 -53.06 -39.91 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.14 -37.26 80.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.57 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.694 ' CD1' HD11 ' D' ' 127' ' ' ILE . 14.8 mt -67.26 -49.91 67.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.003 0.43 . . . . 0.0 110.646 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.781 ' O ' ' HB ' ' B' ' 132' ' ' THR . 39.8 t60 -68.59 -27.71 66.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.905 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.939 ' HA ' HG21 ' B' ' 83' ' ' ILE . 0.9 OUTLIER -67.43 -60.86 2.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.222 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.57 -49.34 71.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.718 HG21 HG21 ' A' ' 57' ' ' ILE . 62.7 mt -56.74 -43.1 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.452 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.781 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.3 OUTLIER -61.21 -49.25 77.9 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.331 0.586 . . . . 0.0 109.56 179.022 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.928 HG23 ' O ' ' B' ' 129' ' ' ASN . 58.4 t -52.79 -48.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.385 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.9 -32.09 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.4 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 29.5 ttm -56.75 -57.25 13.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.844 ' O ' HG23 ' C' ' 12' ' ' VAL . 44.9 mt-10 -63.5 -54.51 35.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.701 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.486 ' HE2' HD11 ' C' ' 13' ' ' LEU . 1.3 tmtt? -54.74 -41.68 70.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.711 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.7 tpt -61.49 -47.76 84.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.121 0.486 . . . . 0.0 109.723 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.496 ' NE2' HG23 ' C' ' 15' ' ' VAL . 32.7 tp60 -65.36 -30.98 71.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.809 178.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.844 HG23 ' O ' ' C' ' 8' ' ' GLU . 74.2 t -62.55 -53.73 43.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.63 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.69 HD13 ' HE2' ' C' ' 43' ' ' LYS . 20.2 mt -56.64 -43.92 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.72 68.45 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.814 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.1 t -73.12 -38.61 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.837 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.665 HD21 ' HD2' ' C' ' 38' ' ' PHE . 19.7 mt -64.45 -35.39 80.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.533 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -43.9 69.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.845 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -63.65 -54.77 30.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.032 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.575 HD22 HD12 ' B' ' 100' ' ' LEU . 84.9 mt -53.19 -53.69 46.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.995 0.426 . . . . 0.0 110.265 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.447 ' HD2' ' CB ' ' C' ' 32' ' ' ASN . 0.6 OUTLIER -49.62 -42.44 44.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.947 179.577 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.62 93.03 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.108 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.528 ' HB3' HD22 ' B' ' 100' ' ' LEU . 12.9 mmtt -60.2 -40.23 89.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.696 0.284 . . . . 0.0 110.997 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.687 HD23 HD21 ' B' ' 100' ' ' LEU . 19.1 mt -61.88 -50.84 70.6 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 120.876 0.369 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.48 -26.64 66.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.163 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.22 -31.34 30.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.839 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.404 ' HE2' ' HA ' ' B' ' 100' ' ' LEU . 2.2 mptt -86.53 -34.78 19.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.441 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.32 -18.39 8.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.681 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 35.5 m-20 -70.96 76.61 0.65 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.99 0.424 . . . . 0.0 110.076 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.62 14.15 8.94 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.985 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 91.8 m -82.62 -35.97 26.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.647 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.561 ' HB2' HD13 ' C' ' 23' ' ' LEU . 0.6 OUTLIER -86.94 -26.41 23.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.336 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 32' ' ' ASN . . . . . 0.447 ' CB ' ' HD2' ' C' ' 20' ' ' ARG . 2.4 m120 -45.96 -50.95 14.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.975 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -33.28 67.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.08 0.467 . . . . 0.0 110.178 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.435 ' O ' HD13 ' B' ' 84' ' ' LEU . 7.8 mmmm -68.17 -49.6 59.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.171 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.572 ' N ' HD23 ' C' ' 35' ' ' LEU . 2.2 mt -57.91 -29.46 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.803 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 39.9 m -73.58 -38.95 65.0 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.245 0.545 . . . . 0.0 109.793 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' B' ' 84' ' ' LEU . . . -69.51 -47.79 62.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.398 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.665 ' HD2' HD21 ' C' ' 16' ' ' LEU . 2.1 t80 -63.83 -37.01 85.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.002 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.481 ' HA ' HD13 ' C' ' 16' ' ' LEU . 87.7 t80 -70.15 -54.0 14.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.795 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.3 -50.53 71.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.568 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.721 HG22 ' CD2' ' C' ' 47' ' ' PHE . 91.4 m -53.09 -41.78 65.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.338 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.559 HD12 ' O ' ' C' ' 38' ' ' PHE . 0.3 OUTLIER -60.54 -37.09 80.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.876 179.224 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.69 ' HE2' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -75.07 -28.55 60.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.123 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.3 m -45.74 146.51 1.88 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.557 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.21 -48.04 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.598 2.199 . . . . 0.0 112.531 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.683 HD21 HD13 ' A' ' 60' ' ' LEU . 3.1 mm? -57.88 -55.49 34.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.721 ' CD2' HG22 ' C' ' 41' ' ' THR . 4.9 t80 -53.8 -46.58 71.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -55.63 -40.48 72.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.605 ' HB3' HD12 ' A' ' 53' ' ' LEU . 44.7 mt-30 -62.15 -41.96 98.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.1 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.803 HG12 HD21 ' A' ' 53' ' ' LEU . 25.7 mt -60.88 -53.0 55.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.758 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.703 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.5 OUTLIER -58.56 -38.23 77.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.261 179.663 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 85.5 m -53.58 -44.84 69.67 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.741 HD21 HG12 ' A' ' 50' ' ' ILE . 1.1 tp -61.67 -38.4 87.64 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.84 178.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.592 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 4.2 mm-40 -64.76 -38.52 91.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.891 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -59.23 -40.48 86.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.309 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -61.74 -53.31 57.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.19 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.9 HG12 HD13 ' A' ' 46' ' ' LEU . 29.3 mt -63.22 -34.83 69.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.49 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -42.46 99.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.048 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.99 -39.64 92.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.998 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.0 OUTLIER -54.89 -60.49 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.619 179.448 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 61' ' ' LYS . . . . . 0.447 ' CE ' HG23 ' D' ' 131' ' ' ILE . 4.9 mtpt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.19 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.702 HG21 ' HA ' ' D' ' 129' ' ' ASN . 1.2 pt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.562 0.22 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 0.681 HD23 ' HZ ' ' D' ' 125' ' ' PHE . 1.9 pt? -158.59 -2.32 0.09 Allowed 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 85' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.1 OUTLIER 58.89 143.16 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.983 0.42 . . . . 0.0 111.368 179.369 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.811 HG23 ' CG1' ' D' ' 116' ' ' VAL . 1.0 OUTLIER -70.37 -34.06 56.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.536 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -44.65 96.6 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.878 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.04 -40.95 52.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.808 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.75 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -73.28 -27.39 61.53 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.714 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.4 t80 -69.34 -48.17 62.2 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 9.8 m -64.62 -30.26 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 32.1 m -63.61 -51.64 64.36 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.637 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.783 ' HA ' HD12 ' D' ' 96' ' ' ILE . 0.9 OUTLIER -56.98 -39.22 74.22 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.68 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 94' ' ' LYS . . . . . 0.415 ' CE ' ' HA ' ' D' ' 94' ' ' LYS . 0.0 OUTLIER -59.32 -37.31 77.45 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 95' ' ' HIS . . . . . 0.439 ' CE1' ' OE1' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -70.86 -51.44 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.108 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' D' ' 93' ' ' LEU . 10.6 mt -52.81 -39.95 33.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.895 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.881 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.63 -49.33 75.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.778 179.646 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -83.12 -1.24 52.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.551 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 99' ' ' THR . . . . . 0.403 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.6 m -101.2 -32.53 10.49 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.884 HD12 HD11 ' D' ' 109' ' ' ILE . 72.8 mt -92.24 -51.67 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.275 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.02 34.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.667 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -95.09 20.22 9.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.936 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 16.0 m 67.11 -70.16 0.12 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.103 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -33.45 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.19 0.519 . . . . 0.0 110.115 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.721 ' O ' HD12 ' D' ' 109' ' ' ILE . 87.7 p -70.7 -37.12 73.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.674 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -64.21 -37.41 87.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.389 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -39.72 75.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.29 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.761 ' HB3' HG13 ' A' ' 15' ' ' VAL . 5.6 m-20 -70.63 -41.79 71.75 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.884 HD11 HD12 ' D' ' 100' ' ' LEU . 5.8 mt -60.24 -49.34 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.089 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.573 ' HA ' HD12 ' D' ' 113' ' ' LEU . 11.9 p -56.12 -35.43 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.778 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.531 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.9 -51.18 70.13 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.964 178.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.829 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.3 mt -63.57 -41.58 98.37 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 178.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.669 ' CD1' HG22 ' D' ' 109' ' ' ILE . 4.8 mt -57.76 -42.11 83.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.786 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.91 -50.06 73.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.007 0.432 . . . . 0.0 110.546 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.483 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.7 mp -60.97 -51.89 67.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.006 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.829 HG23 ' O ' ' D' ' 112' ' ' LEU . 51.7 t -57.16 -30.19 34.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.65 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 32.4 mt-30 -94.62 -9.38 35.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.58 153.48 39.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.699 0.285 . . . . 0.0 110.361 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -59.07 2.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 111.362 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -48.35 81.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.935 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 7.5 t80 -55.97 -55.3 34.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.566 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 122' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 2.3 mt-30 -49.7 -37.79 30.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.472 ' HB3' ' CD1' ' B' ' 127' ' ' ILE . 30.0 m-20 -64.2 -42.92 96.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.187 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.628 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -60.86 -49.38 77.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.743 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.681 ' HZ ' HD23 ' D' ' 84' ' ' LEU . 10.5 t80 -65.12 -35.93 82.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.347 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 126' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 7.7 mmtm -62.56 -38.26 89.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.36 . . . . 0.0 110.677 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 0.694 HD11 ' CD1' ' B' ' 127' ' ' ILE . 56.4 mt -67.78 -49.67 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.69 ' O ' ' HB ' ' D' ' 132' ' ' THR . 23.7 t-80 -64.27 -47.3 80.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.877 ' O ' HG23 ' D' ' 133' ' ' VAL . 3.4 t30 -54.91 -60.61 3.13 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.78 -52.26 65.84 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.882 HG21 HG21 ' C' ' 57' ' ' ILE . 68.5 mt -56.91 -43.1 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.217 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.69 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -60.69 -46.83 88.87 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.089 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.877 HG23 ' O ' ' D' ' 129' ' ' ASN . 75.5 t -55.65 -43.71 74.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.599 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -63.31 -31.21 72.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.034 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 4.1 ttm . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.514 179.57 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.767 0.317 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.2 mm-40 -65.51 -39.19 91.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -62.23 -48.18 81.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.091 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.484 ' CE ' HD12 ' A' ' 13' ' ' LEU . 4.7 tpt -61.99 -45.05 95.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.676 ' NE2' HG21 ' A' ' 15' ' ' VAL . 6.4 tm0? -61.44 -35.44 77.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.536 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 8' ' ' GLU . 12.9 t -61.16 -47.61 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.547 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.716 ' HA ' HD12 ' A' ' 16' ' ' LEU . 13.9 mt -58.47 -44.55 89.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.263 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -66.1 -28.64 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.165 0.507 . . . . 0.0 109.763 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.81 ' CG1' HD21 ' D' ' 112' ' ' LEU . 3.2 t -73.61 -39.86 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.055 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.716 HD12 ' HA ' ' A' ' 13' ' ' LEU . 12.8 mt -62.72 -40.6 97.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.526 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.58 -42.63 64.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.863 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -61.23 -54.7 40.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.669 HD22 HD12 ' D' ' 100' ' ' LEU . 90.1 mt -53.58 -52.69 58.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.947 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.559 ' CA ' HD12 ' A' ' 35' ' ' LEU . 4.2 tmm_? -48.87 -46.43 42.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.149 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.91 -43.56 92.63 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.173 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.661 ' HB3' HD22 ' D' ' 100' ' ' LEU . 3.3 mttm -65.76 -32.06 73.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.579 0.228 . . . . 0.0 111.397 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.769 HD23 HD21 ' D' ' 100' ' ' LEU . 20.8 mt -71.21 -50.75 29.75 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.126 0.489 . . . . 0.0 110.675 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -26.81 67.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.173 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -82.85 -34.6 26.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.459 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 1.8 mptt -80.03 -29.96 39.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.391 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.0 21.59 3.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.46 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 39.4 m-20 -116.89 78.93 1.26 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.125 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.61 7.67 38.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.334 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.4 m -79.1 -53.58 6.86 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.162 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.652 ' HB3' HD11 ' D' ' 96' ' ' ILE . 3.3 mp0 -68.81 -13.37 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.483 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.519 ' ND2' ' CD ' ' A' ' 20' ' ' ARG . 1.6 m-20 -55.04 -47.7 74.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -39.71 74.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.068 0.461 . . . . 0.0 110.086 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -57.18 -55.04 39.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.287 179.11 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.699 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.4 mt -58.94 -33.25 70.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.194 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m -76.75 -33.29 58.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.173 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.069 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -74.18 -43.38 57.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.806 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.803 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 3.1 t80 -71.47 -45.08 63.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.196 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.667 ' HA ' HD13 ' A' ' 16' ' ' LEU . 49.3 t80 -55.35 -53.16 59.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.984 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.64 -48.38 81.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.456 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 95.2 m -57.24 -42.72 81.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.803 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 5.0 mt -60.87 -35.55 76.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.126 0.489 . . . . 0.0 110.206 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 18.3 mtpt -76.77 -32.66 57.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.402 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 34.1 t -42.58 128.48 2.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.553 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 32.5 Cg_exo -58.53 -53.49 3.94 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.478 2.119 . . . . 0.0 112.09 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.731 HD11 HD11 ' C' ' 57' ' ' ILE . 0.6 OUTLIER -57.93 -49.11 77.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.31 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.949 ' CE1' HD21 ' A' ' 51' ' ' LEU . 31.2 t80 -57.78 -44.85 86.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -55.92 -35.08 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.163 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -66.06 -40.72 91.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.153 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.698 HG12 HD21 ' C' ' 53' ' ' LEU . 3.3 mt -59.55 -47.08 92.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.571 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.949 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -65.11 -43.31 92.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.08 179.35 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.3 m -56.0 -35.03 66.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.27 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.853 HD21 HG12 ' C' ' 50' ' ' ILE . 0.6 OUTLIER -66.46 -51.03 61.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.043 179.347 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.756 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.1 OUTLIER -59.05 -42.35 90.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.165 179.318 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -34.6 73.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.173 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.512 ' O ' HD23 ' A' ' 60' ' ' LEU . 55.8 m -65.46 -39.47 92.03 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.918 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.655 ' CD1' HD11 ' C' ' 46' ' ' LEU . 3.0 mt -59.34 -46.2 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.092 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 5.4 mttt -63.91 -30.31 71.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.106 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -57.73 11.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.959 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.547 HD21 ' HA ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -72.25 -27.51 62.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.049 0.452 . . . . 0.0 110.438 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . 24.3 mtmt -54.54 -39.76 68.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.995 0.426 . . . . 0.0 110.302 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.834 179.873 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.721 0.296 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.819 HD11 HG22 ' B' ' 133' ' ' VAL . 0.1 OUTLIER -87.3 -160.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.636 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.819 ' CD2' HD22 ' B' ' 89' ' ' LEU . 4.9 tp -160.44 -37.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.701 0.286 . . . . 0.0 111.293 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.36 112.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.722 0.296 . . . . 0.0 110.538 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.896 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -54.74 -26.77 17.37 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.695 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -63.07 -49.83 72.98 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.161 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -33.39 60.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.157 0.503 . . . . 0.0 109.657 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.819 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.86 -30.02 65.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.391 179.526 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.1 t80 -71.62 -50.91 26.33 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.843 179.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 5.8 m -60.13 -31.85 70.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.665 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' SER . . . . . 0.815 ' O ' HD12 ' B' ' 96' ' ' ILE . 0.4 OUTLIER -61.35 -53.01 62.16 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.382 179.354 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.718 HD21 HD12 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -56.33 -35.31 67.45 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.387 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' B' ' 90' ' ' PHE . 11.2 mmmm -58.68 -44.83 90.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.704 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -66.64 -55.73 13.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.815 HD12 ' O ' ' B' ' 92' ' ' SER . 4.1 mt -51.19 -33.84 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.109 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.585 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -65.73 -49.39 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.801 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -77.1 -20.47 55.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.436 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -84.38 -35.44 23.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.072 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.676 HD12 HD11 ' B' ' 109' ' ' ILE . 85.3 mt -103.39 83.3 2.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.88 36.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.238 -178.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.72 16.34 10.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.034 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' SER . . . . . 0.41 ' HA ' ' HG3' ' B' ' 106' ' ' GLN . 1.1 t 69.03 -68.18 0.19 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.203 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -56.61 -37.62 70.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.03 0.443 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.775 ' O ' HD12 ' B' ' 109' ' ' ILE . 1.4 m -66.31 -38.14 87.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.738 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 106' ' ' GLN . . . . . 0.41 ' HG3' ' HA ' ' B' ' 103' ' ' SER . 0.4 OUTLIER -63.93 -33.72 76.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.061 0.458 . . . . 0.0 110.072 179.536 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.14 -41.05 77.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.631 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.751 ' CG ' HG22 ' C' ' 15' ' ' VAL . 48.2 m-20 -70.3 -42.85 71.48 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.775 HD12 ' O ' ' B' ' 105' ' ' SER . 4.8 mt -59.91 -49.4 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.569 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.651 ' HA ' HD12 ' B' ' 113' ' ' LEU . 37.6 t -56.85 -34.44 67.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.795 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.635 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.68 -51.48 68.62 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.769 178.858 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.876 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.0 mt -62.76 -44.21 96.78 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' B' ' 110' ' ' SER . 8.1 mt -55.17 -40.9 71.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.807 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -61.9 -52.22 64.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.659 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' C' ' 12' ' ' VAL . 0.8 OUTLIER -61.15 -48.84 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.313 0.578 . . . . 0.0 110.077 179.377 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.896 HG13 HG12 ' B' ' 86' ' ' ILE . 52.2 t -58.39 -36.17 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.711 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 31.2 mt-30 -89.14 -9.93 49.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -62.1 134.68 56.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.831 0.348 . . . . 0.0 110.499 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -58.48 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.411 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.88 -50.1 75.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 111.039 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.1 t80 -55.77 -48.96 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.732 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.87 -38.17 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 123' ' ' ASN . . . . . 0.462 ' O ' HG13 ' B' ' 127' ' ' ILE . 60.0 m-20 -66.56 -51.22 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.793 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -56.52 -49.15 75.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.39 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.615 ' CD1' HD12 ' B' ' 86' ' ' ILE . 12.0 t80 -58.65 -39.13 79.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.013 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -38.18 86.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.451 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 1.138 HD11 HD11 ' D' ' 127' ' ' ILE . 20.7 mt -62.32 -49.71 82.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.77 ' O ' ' HB ' ' B' ' 132' ' ' THR . 13.2 t-80 -65.06 -30.25 71.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.156 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.872 ' O ' HG23 ' B' ' 133' ' ' VAL . 35.1 t-20 -64.72 -61.31 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.12 -51.76 54.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.732 HD12 HG22 ' B' ' 127' ' ' ILE . 36.7 mt -53.87 -39.1 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.282 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.77 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.3 OUTLIER -63.81 -46.65 84.18 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.202 0.525 . . . . 0.0 109.603 178.672 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 129' ' ' ASN . 42.5 t -52.59 -48.19 47.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.68 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -31.04 72.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.983 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 135' ' ' MET . . . . . 0.408 ' HG3' ' HG2' ' A' ' 61' ' ' LYS . 23.9 ttm -57.7 -61.74 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.926 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 -179.886 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.764 0.316 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.844 ' O ' HG23 ' C' ' 12' ' ' VAL . 14.3 mt-10 -64.06 -58.07 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.733 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.828 ' HE2' HD11 ' C' ' 13' ' ' LEU . 2.1 tmtt? -58.4 -42.57 87.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.528 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -45.2 95.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.139 0.495 . . . . 0.0 109.682 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.534 ' NE2' HG23 ' C' ' 15' ' ' VAL . 30.4 tp60 -66.69 -33.17 75.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.595 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.844 HG23 ' O ' ' C' ' 8' ' ' GLU . 55.5 t -59.74 -55.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.573 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.905 ' HA ' HD12 ' C' ' 16' ' ' LEU . 19.7 mt -55.16 -45.4 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.042 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -28.31 68.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.593 178.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.776 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.2 t -74.24 -37.75 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.99 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.905 HD12 ' HA ' ' C' ' 13' ' ' LEU . 8.3 mt -64.09 -40.17 95.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -70.23 -42.0 72.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.56 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -64.28 -54.16 37.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.717 HD12 HD11 ' B' ' 112' ' ' LEU . 62.3 mt -53.89 -57.46 10.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.731 ' N ' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -55.78 -30.04 60.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.76 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.58 -44.89 91.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.913 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.414 ' HB3' ' CD2' ' B' ' 100' ' ' LEU . 6.8 mttm -62.93 -39.95 96.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.788 0.328 . . . . 0.0 110.661 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.63 HD21 HG23 ' B' ' 96' ' ' ILE . 27.3 mt -60.11 -50.45 73.63 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.471 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -60.46 -28.35 68.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.131 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.6 -31.98 28.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.677 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.87 -29.65 29.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.229 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.99 19.82 3.9 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.695 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -113.39 82.32 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.955 0.407 . . . . 0.0 110.115 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.471 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -95.2 30.26 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.841 179.716 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 20.5 m -102.97 -40.71 6.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.769 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.685 ' HB3' HD11 ' B' ' 96' ' ' ILE . 1.1 mm-40 -85.98 -25.22 26.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -50.36 -37.76 38.84 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.352 . . . . 0.0 110.795 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -65.29 -32.84 74.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.164 0.507 . . . . 0.0 110.028 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -70.84 -45.62 64.19 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.731 HD12 ' N ' ' C' ' 20' ' ' ARG . 1.4 mt -59.33 -32.71 70.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.149 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 48.8 m -75.67 -32.1 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.726 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.75 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -68.76 -48.23 64.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.405 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.768 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 3.8 t80 -68.08 -46.05 72.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.851 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.691 ' HA ' HD13 ' C' ' 16' ' ' LEU . 21.5 t80 -53.86 -53.42 52.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.113 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.0 -50.83 72.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.64 HG22 ' CD2' ' C' ' 47' ' ' PHE . 89.6 m -54.52 -36.97 64.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.466 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.768 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 3.4 mt -67.99 -29.53 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.166 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.781 ' HE2' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -71.29 -32.65 68.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.531 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 30.8 m -53.22 132.41 51.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.223 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.66 -32.16 12.27 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.529 2.152 . . . . 0.0 112.126 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.655 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -64.53 -55.3 21.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.116 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.779 ' CE1' HD21 ' C' ' 51' ' ' LEU . 11.7 t80 -55.81 -42.78 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.314 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -41.86 75.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.704 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.92 -41.52 96.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.479 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.853 HG12 HD21 ' A' ' 53' ' ' LEU . 9.4 mt -59.05 -46.3 91.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.899 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.779 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.14 -36.61 83.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.426 179.645 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.1 m -53.99 -50.26 66.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.179 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.698 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -60.38 -44.93 95.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.906 178.858 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.622 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -59.11 -33.9 71.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.072 179.249 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -37.61 85.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.099 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -60.38 -50.36 73.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.069 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.788 ' CG2' HG21 ' D' ' 131' ' ' ILE . 56.5 mt -59.91 -34.71 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.118 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -57.81 -43.84 85.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.062 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -63.32 -40.19 96.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.24 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' C' ' 57' ' ' ILE . 2.6 mt -53.79 -47.04 71.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.764 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 61' ' ' LYS . . . . . 0.427 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 8.1 mtpt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.713 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.2 OUTLIER . . . . . 0 CA--C 1.522 -0.13 0 CA-C-O 120.821 0.343 . . . . 0.0 110.837 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 1.069 HD13 ' HB3' ' A' ' 37' ' ' ALA . 31.3 tp 74.87 -51.44 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.721 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 61.37 112.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 1.002 HG12 HG13 ' D' ' 116' ' ' VAL . 1.0 OUTLIER -55.22 -25.74 17.29 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.071 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.69 -46.17 86.69 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.359 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.12 -34.63 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.84 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.736 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.11 -29.69 64.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.233 179.401 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 42.3 t80 -72.57 -50.19 27.21 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.107 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -61.3 -31.09 70.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.619 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 92' ' ' SER . . . . . 0.417 ' CB ' ' HG2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -64.1 -51.62 63.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.758 179.467 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.762 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.8 OUTLIER -55.81 -37.81 69.15 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.518 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 94' ' ' LYS . . . . . 0.401 ' NZ ' HD22 ' D' ' 113' ' ' LEU . 4.9 mmtt -59.35 -41.79 90.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.6 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.58 -53.63 26.63 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.766 HG23 HD21 ' A' ' 23' ' ' LEU . 9.5 mt -51.03 -41.05 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.81 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.856 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -60.46 -53.16 60.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.039 179.693 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -80.03 -2.97 46.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.02 0.438 . . . . 0.0 110.48 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 99' ' ' THR . . . . . 0.435 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.6 m -97.1 -33.61 11.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.618 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.769 HD21 HD23 ' A' ' 23' ' ' LEU . 13.5 mt -87.16 -48.95 7.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.852 0.358 . . . . 0.0 110.433 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 101' ' ' VAL . . . . . 0.4 ' HA ' ' OE1' ' D' ' 106' ' ' GLN . 0.0 OUTLIER 41.12 35.8 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.759 179.248 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 102' ' ' ASP . . . . . 0.406 ' HB2' ' HB2' ' D' ' 105' ' ' SER . 0.2 OUTLIER -98.65 19.05 15.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.654 179.623 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 27.2 t 66.21 -70.92 0.1 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 104' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' D' ' 105' ' ' SER . 0.7 OUTLIER -61.74 -30.15 70.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.061 0.458 . . . . 0.0 109.944 179.595 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.804 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.6 OUTLIER -70.46 -39.91 73.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.974 179.226 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 106' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' D' ' 101' ' ' VAL . 0.8 OUTLIER -62.93 -33.62 75.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.165 0.507 . . . . 0.0 109.803 179.275 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.57 -42.89 73.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.851 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.725 ' HB3' HG13 ' A' ' 15' ' ' VAL . 17.1 m-20 -70.94 -40.76 71.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.856 HD13 ' HA ' ' D' ' 97' ' ' GLN . 4.9 mt -61.75 -49.21 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.263 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.659 ' HA ' HD12 ' D' ' 113' ' ' LEU . 16.1 m -55.98 -36.12 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.061 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.465 HD23 HG22 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -58.02 -51.33 70.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.229 179.064 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.865 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 mt -60.24 -42.61 95.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' D' ' 110' ' ' SER . 3.9 mt -57.43 -49.88 74.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.631 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.99 -42.47 98.46 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.261 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.753 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.9 mp -61.88 -41.42 97.85 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 1.002 HG13 HG12 ' D' ' 86' ' ' ILE . 86.3 t -62.21 -53.22 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.407 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.0 OUTLIER -65.93 -19.28 65.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.079 -179.318 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 118' ' ' ASN . . . . . 0.418 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.4 OUTLIER -53.64 127.83 26.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.731 0.3 . . . . 0.0 110.8 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -56.87 -58.77 6.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.602 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 120' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' D' ' 123' ' ' ASN . 0.7 OUTLIER -56.99 -46.22 82.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.937 -179.705 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.455 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 8.4 t80 -58.97 -56.07 27.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 122' ' ' GLN . . . . . 0.459 ' CG ' HD13 ' D' ' 86' ' ' ILE . 0.8 OUTLIER -54.68 -31.83 58.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.8 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.478 ' HB3' HG12 ' B' ' 127' ' ' ILE . 3.9 m-20 -61.26 -51.45 68.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.659 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.935 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -64.08 -49.2 73.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.994 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.79 ' CD1' HD12 ' D' ' 86' ' ' ILE . 39.5 t80 -57.85 -34.67 69.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -41.19 80.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 1.138 HD11 HD11 ' B' ' 127' ' ' ILE . 7.7 mt -59.16 -49.9 81.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.987 0.423 . . . . 0.0 111.003 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.628 ' O ' ' HB ' ' D' ' 132' ' ' THR . 13.1 t-80 -64.32 -46.19 84.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.093 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.928 ' O ' HG23 ' D' ' 133' ' ' VAL . 1.7 m-80 -55.62 -60.28 3.66 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.04 71.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.788 HG21 ' CG2' ' C' ' 57' ' ' ILE . 93.4 mt -58.04 -47.75 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.283 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.713 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -56.92 -45.28 82.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.222 0.534 . . . . 0.0 109.906 179.413 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.928 HG23 ' O ' ' D' ' 129' ' ' ASN . 92.5 t -53.71 -50.9 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.379 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -30.86 71.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.24 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 29.5 ttm . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.844 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.774 0.321 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.682 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.7 mt-10 -68.01 -45.77 73.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 11.7 tttm -62.55 -48.1 80.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.742 ' CE ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -60.72 -38.2 84.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.697 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.3 tp60 -69.25 -38.28 78.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.123 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 8' ' ' GLU . 17.9 t -59.24 -49.37 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.023 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.742 HD12 ' CE ' ' A' ' 10' ' ' MET . 9.2 mt -56.96 -51.86 67.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.613 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.68 -28.3 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.917 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.865 HG11 HD21 ' D' ' 112' ' ' LEU . 8.3 t -73.38 -36.84 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.994 179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.739 HD13 ' HA ' ' A' ' 39' ' ' TYR . 13.1 mt -64.39 -43.02 95.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.08 -43.57 74.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.724 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -61.2 -54.48 43.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.206 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.781 HD12 HD11 ' D' ' 112' ' ' LEU . 80.8 mt -54.35 -57.27 11.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.035 0.445 . . . . 0.0 110.963 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.724 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -54.1 -30.15 47.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.062 -179.648 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.88 -45.82 79.9 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.156 -1.021 . . . . 0.0 111.405 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -58.72 -38.9 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.603 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 31' ' ' GLN . 19.7 mt -64.93 -47.27 78.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.276 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.424 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -58.49 -27.52 64.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.146 179.2 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -82.93 -35.61 25.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.134 0.493 . . . . 0.0 110.37 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.74 -31.26 46.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.49 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.91 21.07 4.69 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.522 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -113.01 80.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.053 0.454 . . . . 0.0 110.053 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.424 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -89.97 9.08 29.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.224 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.414 HG22 ' NE2' ' A' ' 31' ' ' GLN . 21.3 m -85.2 -43.73 13.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.623 ' HB2' HD13 ' A' ' 23' ' ' LEU . 5.8 mp0 -75.52 -25.95 57.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.659 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.403 ' ND2' ' HG2' ' A' ' 24' ' ' GLN . 94.8 m-20 -55.54 -38.28 69.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.659 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -32.9 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.421 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -74.88 -38.97 61.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.335 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.724 HD12 ' N ' ' A' ' 20' ' ' ARG . 1.4 mt -67.82 -34.69 77.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.484 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -77.1 -29.84 55.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.046 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.849 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -74.4 -44.22 52.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.643 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.705 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 6.5 t80 -73.55 -45.59 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.172 0.51 . . . . 0.0 110.408 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.739 ' HA ' HD13 ' A' ' 16' ' ' LEU . 1.1 t80 -57.1 -53.94 52.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.862 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -59.07 -50.14 75.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.502 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.738 HG22 ' CD2' ' A' ' 47' ' ' PHE . 88.5 m -56.08 -37.31 69.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.056 0.455 . . . . 0.0 110.087 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.705 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -62.9 -32.93 74.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.128 179.098 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HE2' ' CD1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -71.62 -33.83 69.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.653 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.93 135.12 8.36 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.345 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.51 -42.68 2.47 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.616 2.21 . . . . 0.0 112.141 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.729 HD11 HD13 ' C' ' 57' ' ' ILE . 0.2 OUTLIER -58.29 -55.56 33.37 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.159 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.762 ' CE1' HD21 ' A' ' 51' ' ' LEU . 9.2 t80 -58.86 -39.82 82.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.972 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.21 -42.95 78.02 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.343 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.541 ' O ' HG22 ' A' ' 52' ' ' THR . 4.1 tt0 -61.03 -36.9 80.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.197 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.77 HG12 HD21 ' C' ' 53' ' ' LEU . 14.9 mt -64.62 -41.24 91.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.026 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.762 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -74.26 -45.17 49.51 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.497 -179.699 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 49' ' ' GLN . 2.8 t -54.24 -41.42 68.73 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.116 0.484 . . . . 0.0 110.008 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.848 HD21 HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -64.08 -49.72 71.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.759 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.43 HE21 HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -58.94 -34.61 71.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.285 179.177 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.82 -40.04 96.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.042 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -42.74 98.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.652 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.849 ' CG2' HG21 ' B' ' 131' ' ' ILE . 2.1 mt -60.38 -36.46 69.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.213 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -60.48 -44.23 96.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.884 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -59.49 -39.5 83.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.119 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.7 mt -57.65 -45.48 85.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.507 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.468 ' CE ' HG23 ' B' ' 131' ' ' ILE . 9.4 mtpt -58.47 -48.36 81.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.651 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.881 0.372 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.888 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.4 OUTLIER -91.62 -167.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.623 179.813 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.847 HD13 ' HB3' ' C' ' 37' ' ' ALA . 22.1 tp -142.92 -38.44 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.53 108.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.717 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.879 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -52.64 -26.92 11.03 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.701 -179.436 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -64.43 -43.02 95.64 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.554 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' ASP . . . . . 0.407 ' HB3' ' NZ ' ' C' ' 34' ' ' LYS . 0.9 OUTLIER -80.51 -35.63 34.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.9 178.849 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.785 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.01 -31.43 66.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.296 179.475 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.481 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 13.3 t80 -72.85 -50.47 23.8 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.076 0.465 . . . . 0.0 110.196 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -30.95 71.05 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' SER . . . . . 0.439 ' OG ' ' HG3' ' C' ' 34' ' ' LYS . 35.6 m -63.61 -51.17 66.44 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.526 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.768 HD13 ' HB2' ' B' ' 112' ' ' LEU . 1.0 OUTLIER -55.42 -38.13 68.56 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.505 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.444 ' HE2' ' CE1' ' B' ' 90' ' ' PHE . 2.4 mptp? -59.13 -40.07 84.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.345 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.453 ' CE1' ' OE1' ' C' ' 31' ' ' GLN . 0.5 OUTLIER -69.1 -51.97 33.16 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.067 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' B' ' 93' ' ' LEU . 10.7 mt -51.7 -40.51 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.911 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.899 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -61.01 -52.21 65.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.078 179.674 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -80.42 -4.68 54.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.999 0.428 . . . . 0.0 110.456 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.9 m -96.79 -31.84 12.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.418 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.85 HD12 HD11 ' B' ' 109' ' ' ILE . 43.5 mt -92.15 -52.87 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.235 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.65 35.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.756 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -97.84 21.6 10.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 29.3 t 66.32 -71.19 0.09 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -32.41 70.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.218 0.532 . . . . 0.0 110.13 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.779 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -69.83 -38.79 76.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.544 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -36.87 85.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.094 0.473 . . . . 0.0 110.277 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.89 -40.51 79.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.463 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.817 ' HB3' HG13 ' C' ' 15' ' ' VAL . 13.2 m-20 -70.49 -43.43 69.73 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.899 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.6 mt -59.38 -49.26 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.504 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.641 ' HA ' HD12 ' B' ' 113' ' ' LEU . 3.6 t -57.05 -34.62 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.907 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.594 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.71 -51.4 68.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.895 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.844 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.7 mt -63.58 -42.61 98.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' B' ' 110' ' ' SER . 6.2 mt -56.45 -42.39 78.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.662 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -62.49 -52.13 64.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.494 ' CD2' HG21 ' C' ' 12' ' ' VAL . 2.2 mp -58.83 -50.74 72.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.241 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.879 HG13 HG12 ' B' ' 86' ' ' ILE . 58.8 t -55.79 -38.26 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.542 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -87.71 -8.15 56.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.894 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 1.3 t-20 -63.41 135.28 56.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.707 0.289 . . . . 0.0 110.645 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -56.43 -58.86 6.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.397 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.12 -47.38 86.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.261 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 11.0 t80 -56.35 -56.29 22.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.952 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -54.61 -33.66 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' ASN . . . . . 0.401 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.7 OUTLIER -61.68 -51.11 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 0.0 110.667 179.706 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.893 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -60.15 -43.19 95.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.782 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.6 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 2.2 t80 -63.12 -38.72 92.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -62.01 -37.82 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.343 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 1.063 HD11 HD11 ' D' ' 127' ' ' ILE . 11.8 mt -64.03 -49.74 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.735 ' O ' ' HB ' ' B' ' 132' ' ' THR . 27.8 t-80 -67.14 -44.07 80.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.126 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.884 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.8 OUTLIER -55.22 -59.07 5.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.15 -51.91 64.56 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.849 HG21 ' CG2' ' A' ' 57' ' ' ILE . 82.3 mt -57.58 -43.52 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.2 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.888 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.5 OUTLIER -59.46 -46.16 89.57 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.249 0.547 . . . . 0.0 109.589 179.057 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.884 HG23 ' O ' ' B' ' 129' ' ' ASN . 97.8 t -54.84 -46.43 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.257 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 134' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' B' ' 131' ' ' ILE . 3.7 m-70 -63.47 -33.58 75.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.935 178.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.4 ttm -58.89 -41.44 87.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.395 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 29.9 t30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.739 179.852 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.83 0.348 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.817 ' O ' HG23 ' C' ' 12' ' ' VAL . 4.9 mm-40 -61.64 -50.05 74.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.817 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.9 ttpt -59.76 -43.71 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.624 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -46.82 89.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.048 0.452 . . . . 0.0 109.914 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.571 ' O ' HG23 ' C' ' 15' ' ' VAL . 31.0 tp60 -64.99 -35.99 82.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.535 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.817 HG23 ' O ' ' C' ' 8' ' ' GLU . 41.0 t -59.24 -56.05 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.685 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.74 ' HA ' HD12 ' C' ' 16' ' ' LEU . 14.9 mt -54.57 -41.01 69.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.142 0.496 . . . . 0.0 110.178 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -28.28 65.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.818 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.817 HG13 ' HB3' ' B' ' 108' ' ' ASP . 3.9 t -73.74 -40.13 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.959 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' C' ' 13' ' ' LEU . 7.9 mt -64.51 -40.63 96.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.991 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.82 -41.41 75.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -66.6 -53.83 30.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.615 HD12 HD11 ' B' ' 112' ' ' LEU . 66.7 mt -54.61 -57.44 11.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 0.0 110.748 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.742 ' N ' HD12 ' C' ' 35' ' ' LEU . 0.5 OUTLIER -54.77 -31.96 59.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.803 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.58 -47.33 85.0 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.829 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.57 ' HB3' HD22 ' B' ' 100' ' ' LEU . 2.0 mttm -60.79 -34.9 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.6 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' C' ' 20' ' ' ARG . 21.2 mt -65.05 -49.92 68.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.95 0.405 . . . . 0.0 110.322 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.537 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.3 OUTLIER -58.13 -27.92 64.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.122 179.189 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.26 -31.98 29.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.512 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.438 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.0 OUTLIER -80.65 -32.06 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.157 -179.788 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.06 21.12 4.62 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 12.7 m-20 -117.54 82.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.419 . . . . 0.0 110.102 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.537 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -90.38 9.87 27.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.108 179.681 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 52.7 m -78.49 -52.01 9.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.458 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.453 ' OE1' ' CE1' ' B' ' 95' ' ' HIS . 18.2 mp0 -73.53 -24.97 60.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.498 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -52.1 -42.07 62.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.521 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.51 -32.91 67.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.288 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.439 ' HG3' ' OG ' ' B' ' 92' ' ' SER . 25.2 mmmt -70.75 -41.84 71.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.315 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.742 HD12 ' N ' ' C' ' 20' ' ' ARG . 1.3 mt -66.21 -31.87 72.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.268 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -33.13 56.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.85 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.847 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.73 -45.41 58.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.459 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.764 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 2.5 t80 -68.88 -49.5 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.323 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.643 ' HA ' HD13 ' C' ' 16' ' ' LEU . 38.4 t80 -53.87 -53.72 48.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.433 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 1.9 mt-10 -59.95 -43.96 94.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.782 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 85.1 m -59.91 -41.58 92.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.599 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.764 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 6.2 mt -61.18 -34.38 74.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.391 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.477 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.4 OUTLIER -72.38 -31.01 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.817 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 44' ' ' SER . . . . . 0.437 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 1.6 m -47.6 129.3 10.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.265 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 45' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 27.4 Cg_exo -60.41 -46.33 18.37 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.294 1.996 . . . . 0.0 111.679 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.784 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -57.64 -53.43 58.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.346 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.926 ' CE1' HD21 ' C' ' 51' ' ' LEU . 19.8 t80 -56.92 -45.52 82.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.604 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.71 -34.65 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.4 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 34.3 mt-30 -67.99 -39.21 83.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.364 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.848 HG12 HD21 ' A' ' 53' ' ' LEU . 3.0 mt -63.53 -44.63 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.074 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.926 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.4 OUTLIER -69.46 -41.84 75.67 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.7 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -53.7 -48.83 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.014 0.435 . . . . 0.0 110.431 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.77 HD21 HG12 ' A' ' 50' ' ' ILE . 1.5 tt -59.12 -51.69 68.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.198 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.615 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -61.35 -30.84 70.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.42 179.545 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -39.54 94.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.019 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 30.4 t -65.77 -43.35 89.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.829 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.729 HD13 HD11 ' A' ' 46' ' ' LEU . 3.3 mt -60.35 -43.03 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.393 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 58' ' ' LYS . . . . . 0.422 ' HG2' ' HZ3' ' C' ' 61' ' ' LYS . 0.1 OUTLIER -59.26 -39.5 83.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.184 179.28 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -61.09 -40.68 94.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.271 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.7 OUTLIER -57.52 -48.72 78.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.489 179.597 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 61' ' ' LYS . . . . . 0.437 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 1.7 mtpt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.828 HD12 ' CG2' ' D' ' 132' ' ' THR . 1.1 mm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.79 0.328 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 0.849 HD13 ' HB3' ' A' ' 37' ' ' ALA . 16.5 tp 70.25 -52.73 0.64 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.119 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.46 113.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.949 HG12 HG13 ' D' ' 116' ' ' VAL . 1.1 mt -53.65 -25.06 10.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.54 -45.9 85.15 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.285 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -78.57 -35.07 46.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.792 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.27 -30.81 65.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.468 179.553 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 12.1 t80 -72.46 -48.21 42.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 0.0 109.848 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -30.1 70.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.612 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 92' ' ' SER . . . . . 0.799 ' O ' HD12 ' D' ' 96' ' ' ILE . 0.3 OUTLIER -63.72 -53.47 50.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.408 179.373 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.716 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -56.4 -35.89 68.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -58.93 -44.98 91.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.667 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 95' ' ' HIS . . . . . 0.434 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 2.2 t60 -66.68 -55.63 14.27 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.799 HD12 ' O ' ' D' ' 92' ' ' SER . 4.3 mt -50.67 -33.5 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.956 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.583 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -65.32 -47.37 76.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.832 179.658 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -21.06 45.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.041 0.448 . . . . 0.0 110.478 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 99' ' ' THR . . . . . 0.402 ' HG1' ' CE1' ' D' ' 95' ' ' HIS . 1.4 m -84.67 -33.97 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.175 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.631 HD12 HD11 ' D' ' 109' ' ' ILE . 48.9 mt -104.37 85.04 2.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.68 0.752 . . . . 0.0 109.238 178.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.1 36.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.409 -1.268 . . . . 0.0 111.16 -178.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.15 12.42 20.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.922 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 7.5 t 72.4 -68.29 0.23 Allowed 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.328 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 104' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' D' ' 107' ' ' GLU . 59.6 tp60 -60.93 -31.3 70.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.193 0.52 . . . . 0.0 110.072 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.516 ' O ' HD12 ' D' ' 109' ' ' ILE . 16.4 m -73.32 -47.64 40.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.468 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -65.75 -30.74 71.45 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.715 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 107' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' D' ' 104' ' ' GLN . 4.1 pt-20 -72.87 -36.82 67.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.688 ' HB3' HG13 ' A' ' 15' ' ' VAL . 15.9 m-20 -70.73 -40.99 72.43 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.687 ' CD1' HG22 ' D' ' 96' ' ' ILE . 5.9 mt -61.13 -49.44 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 114.942 -1.027 . . . . 0.0 109.652 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.601 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.2 m -54.55 -38.14 66.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.258 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.483 HD23 HD23 ' D' ' 112' ' ' LEU . 6.4 tt -59.83 -44.75 93.89 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.826 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.865 HD21 HG11 ' A' ' 15' ' ' VAL . 3.1 mt -63.8 -41.39 97.91 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.608 ' CD1' HG22 ' D' ' 109' ' ' ILE . 2.8 mt -60.0 -42.75 94.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.439 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 114' ' ' GLN . . . . . 0.547 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -61.8 -36.76 82.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.895 179.512 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.605 ' CD2' HG21 ' A' ' 12' ' ' VAL . 5.1 mp -70.73 -47.46 59.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.453 0.644 . . . . 0.0 109.837 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.949 HG13 HG12 ' D' ' 86' ' ' ILE . 58.8 t -62.08 -37.4 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.573 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.452 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 52.1 mt-30 -84.59 -17.93 37.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.391 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.43 143.54 19.02 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.813 0.339 . . . . 0.0 110.528 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -58.45 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.301 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.29 -50.01 74.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.722 0.296 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 10.8 t80 -55.82 -51.65 66.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -51.94 -35.89 47.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.672 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.454 ' O ' HG13 ' D' ' 127' ' ' ILE . 21.3 m-20 -68.25 -50.27 55.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.799 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.89 -49.45 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.043 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.663 ' CD1' HD12 ' D' ' 86' ' ' ILE . 15.3 t80 -63.45 -34.53 77.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -37.1 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 1.063 HD11 HD11 ' B' ' 127' ' ' ILE . 11.9 mt -64.73 -49.99 77.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.105 0.478 . . . . 0.0 110.519 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.802 ' O ' ' HB ' ' D' ' 132' ' ' THR . 42.0 t-80 -65.4 -41.39 93.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.837 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.868 ' O ' HG23 ' D' ' 133' ' ' VAL . 12.2 t-20 -55.26 -60.43 3.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.016 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.21 62.65 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.693 HD12 HG22 ' D' ' 127' ' ' ILE . 60.4 mt -57.81 -39.68 72.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.154 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.828 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -61.81 -45.24 94.72 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.855 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.868 HG23 ' O ' ' D' ' 129' ' ' ASN . 98.6 t -54.44 -49.21 66.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.533 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -33.12 74.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.925 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.434 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.889 0.375 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.803 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.9 mt-10 -68.07 -56.59 8.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.748 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.7 -41.13 73.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.504 ' HA ' ' HE2' ' A' ' 10' ' ' MET . 11.2 tpp -61.6 -47.69 84.31 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 15' ' ' VAL . 26.4 tp60 -61.93 -37.69 85.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 8' ' ' GLU . 71.1 t -57.23 -50.31 77.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.341 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.916 HD13 ' NZ ' ' A' ' 43' ' ' LYS . 11.9 mt -53.11 -50.82 63.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.35 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -65.66 -28.04 68.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.863 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.826 ' CG1' HD21 ' D' ' 112' ' ' LEU . 5.1 t -72.46 -36.19 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.044 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.62 HD11 HD12 ' A' ' 42' ' ' LEU . 45.6 mt -64.05 -44.85 91.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.317 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.35 -38.51 74.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -54.68 32.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.914 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.536 HD12 HD11 ' D' ' 112' ' ' LEU . 75.3 mt -54.9 -55.38 31.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.049 0.452 . . . . 0.0 110.031 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.713 ' HB2' HD12 ' A' ' 35' ' ' LEU . 5.6 tmm_? -50.27 -42.45 52.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.038 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.09 -46.25 85.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.563 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 8.1 mmmt -63.0 -31.82 73.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 111.016 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.694 HD21 HG23 ' D' ' 96' ' ' ILE . 26.0 mt -71.95 -50.08 32.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.998 0.428 . . . . 0.0 110.791 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -26.49 66.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.224 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -82.92 -39.88 20.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.27 0.557 . . . . 0.0 109.973 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 1.6 mptt -70.87 -30.72 67.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.192 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.22 23.56 4.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 15.8 m-20 -120.41 81.52 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.0 0.428 . . . . 0.0 110.151 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.2 10.18 30.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.399 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.481 HG22 HE21 ' A' ' 31' ' ' GLN . 3.6 m -80.78 -48.89 11.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.039 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.586 ' HB2' HD13 ' A' ' 23' ' ' LEU . 2.0 mm-40 -67.22 -24.82 65.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.894 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.537 ' ND2' ' HD3' ' A' ' 20' ' ' ARG . 3.8 m-20 -44.68 -50.2 10.02 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.927 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -34.6 67.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.528 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -68.05 -39.77 82.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.235 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.713 HD12 ' HB2' ' A' ' 20' ' ' ARG . 1.9 mt -70.9 -41.25 71.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.049 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.6 p -69.87 -36.15 75.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.462 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.034 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -61.61 -45.99 91.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.517 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.673 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 4.4 t80 -70.66 -38.01 73.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.015 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.566 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 1.6 t80 -53.38 -53.43 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.125 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -52.28 56.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.418 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.452 HG22 ' CD2' ' A' ' 47' ' ' PHE . 97.6 m -56.95 -33.4 66.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.0 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.673 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -67.44 -41.67 84.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.864 0.364 . . . . 0.0 110.41 179.507 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.916 ' NZ ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.33 -24.16 62.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 t -45.73 119.0 4.46 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.349 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.42 -51.81 7.68 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.399 2.066 . . . . 0.0 111.796 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.712 HD11 HD11 ' C' ' 57' ' ' ILE . 0.8 OUTLIER -57.95 -46.11 85.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.179 179.63 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CD2' HG22 ' A' ' 41' ' ' THR . 12.5 t80 -57.86 -46.15 85.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.347 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -56.0 -36.11 67.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.241 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -64.38 -41.06 96.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.191 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.814 HG12 HD21 ' C' ' 53' ' ' LEU . 4.3 mt -59.76 -43.01 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.574 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -69.12 -39.67 78.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.292 179.534 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.1 m -55.09 -45.7 75.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.323 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.864 HD21 HG12 ' C' ' 50' ' ' ILE . 0.6 OUTLIER -62.26 -49.89 73.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.051 179.216 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.484 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.4 OUTLIER -58.86 -32.21 69.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.441 179.459 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -65.64 -41.33 92.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.314 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -61.18 -44.03 97.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.075 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.698 ' HA ' HD12 ' A' ' 60' ' ' LEU . 16.8 mt -61.42 -35.13 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.047 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -42.48 98.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.883 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -39.03 90.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.98 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -58.05 -42.04 84.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.374 179.253 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HA ' ' HG3' ' B' ' 135' ' ' MET . 12.1 mtmt -61.12 -56.41 21.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.801 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.569 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.77 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -94.06 -172.43 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.337 0.589 . . . . 0.0 111.259 -179.711 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 1.005 HD13 ' HB3' ' C' ' 37' ' ' ALA . 3.9 tp -172.31 52.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.241 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 84' ' ' LEU . 2.6 mm-40 -36.17 121.52 0.69 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.708 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.934 HG12 HG13 ' B' ' 116' ' ' VAL . 0.7 OUTLIER -49.28 -24.59 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.781 -178.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.38 -45.89 91.13 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -36.52 51.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.998 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.732 HD12 HD21 ' B' ' 93' ' ' LEU . 0.1 OUTLIER -72.17 -28.75 63.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.491 179.697 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 12.0 t80 -72.53 -48.81 37.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.8 m -62.61 -29.36 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.456 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' SER . . . . . 0.837 ' O ' HD12 ' B' ' 96' ' ' ILE . 74.6 m -63.4 -53.25 55.39 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.391 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.732 HD21 HD12 ' B' ' 89' ' ' LEU . 0.6 OUTLIER -57.03 -35.67 69.57 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.168 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.471 ' HA ' ' HG2' ' B' ' 97' ' ' GLN . 31.8 mmtt -59.84 -38.8 83.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.608 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.408 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 2.0 t60 -72.36 -54.1 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.837 HD12 ' O ' ' B' ' 92' ' ' SER . 3.7 mt -53.33 -35.03 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.76 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.928 ' HA ' HD13 ' B' ' 109' ' ' ILE . 2.2 pt20 -70.69 -38.11 73.66 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.327 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.466 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.6 OUTLIER -82.39 -20.44 37.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.212 179.013 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -85.74 -40.03 16.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.893 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.71 HD23 ' HE2' ' C' ' 26' ' ' LYS . 54.4 mt -96.97 85.82 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.47 35.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.464 -178.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.61 15.51 12.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.002 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.99 -67.47 0.21 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.786 0.326 . . . . 0.0 111.19 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -35.29 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.739 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.5 OUTLIER -67.94 -39.67 83.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.981 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.02 -35.48 80.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.976 0.417 . . . . 0.0 110.365 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -41.56 77.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.709 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.744 ' HB3' HG13 ' C' ' 15' ' ' VAL . 38.4 m-20 -70.24 -42.87 71.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.045 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.928 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.7 mt -59.34 -49.39 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.404 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.62 ' HA ' HD12 ' B' ' 113' ' ' LEU . 7.4 m -55.49 -35.92 66.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.879 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.771 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.39 -51.31 68.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.811 178.839 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.822 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.1 mt -62.47 -41.72 98.97 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.395 178.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.635 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.4 mt -58.16 -39.58 79.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.564 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.26 -51.89 67.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.008 0.433 . . . . 0.0 110.287 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.698 HD21 HG21 ' C' ' 12' ' ' VAL . 1.0 OUTLIER -61.37 -49.28 77.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.937 179.192 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.934 HG13 HG12 ' B' ' 86' ' ' ILE . 57.5 t -58.97 -34.92 54.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.457 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 44.1 mt-30 -89.27 -9.66 49.82 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 1.2 m-20 -58.91 151.24 22.19 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.758 0.313 . . . . 0.0 110.677 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -58.83 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.343 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -44.91 94.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.786 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.452 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 9.2 t80 -55.93 -53.46 56.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.558 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -53.02 -42.31 65.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' ASN . . . . . 0.421 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.6 OUTLIER -60.16 -51.19 70.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.953 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.93 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -57.58 -49.06 77.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.078 0.466 . . . . 0.0 110.937 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.455 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 4.8 t80 -59.3 -36.8 76.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.26 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -65.01 -39.28 93.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.661 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 1.028 HD11 HD11 ' D' ' 127' ' ' ILE . 11.4 mt -60.33 -49.65 83.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 CA-C-O 121.149 0.5 . . . . 0.0 110.348 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.794 ' O ' ' HB ' ' B' ' 132' ' ' THR . 24.0 t-80 -60.24 -42.82 96.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.046 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.908 ' O ' HG23 ' B' ' 133' ' ' VAL . 74.4 m-20 -54.99 -60.77 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 130' ' ' ALA . . . . . 0.487 ' HB1' ' HG2' ' D' ' 119' ' ' LYS . . . -62.87 -51.65 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.756 HD12 HG22 ' B' ' 127' ' ' ILE . 53.2 mt -59.12 -38.6 75.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.396 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.794 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -65.64 -47.39 75.72 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.294 0.568 . . . . 0.0 109.542 178.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.908 HG23 ' O ' ' B' ' 129' ' ' ASN . 99.0 t -52.93 -51.1 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.459 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -63.36 -30.89 71.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.048 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 135' ' ' MET . . . . . 0.427 ' HG3' ' HA ' ' A' ' 61' ' ' LYS . 29.7 ttm -54.62 -60.03 3.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.985 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 23.5 p30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.016 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.808 0.337 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.8 ' O ' HG23 ' C' ' 12' ' ' VAL . 3.1 mm-40 -66.85 -58.23 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.2 OUTLIER -56.65 -42.3 78.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.633 179.694 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -44.09 97.66 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.585 ' NE2' HG23 ' C' ' 15' ' ' VAL . 30.8 tp60 -67.87 -32.07 72.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.638 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.8 HG23 ' O ' ' C' ' 8' ' ' GLU . 55.4 t -61.53 -56.06 20.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.589 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.848 ' HA ' HD12 ' C' ' 16' ' ' LEU . 18.5 mt -55.86 -42.48 75.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.137 0.494 . . . . 0.0 109.895 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -28.5 67.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.433 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.78 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.0 t -74.11 -37.88 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.93 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.848 HD12 ' HA ' ' C' ' 13' ' ' LEU . 11.2 mt -64.3 -40.52 96.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.761 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -41.45 77.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.532 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -54.28 27.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.644 HD12 HD11 ' B' ' 112' ' ' LEU . 68.6 mt -52.56 -57.06 11.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 0.0 110.37 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.658 ' CA ' HD12 ' C' ' 35' ' ' LEU . 5.4 tmm_? -50.9 -39.22 53.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.019 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.95 -45.38 95.21 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.98 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.589 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.9 mtpp -63.69 -32.56 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.658 0.266 . . . . 0.0 110.803 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.662 HD23 HD21 ' B' ' 100' ' ' LEU . 52.2 mt -67.57 -50.51 58.06 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.903 0.382 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -32.65 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.03 -28.34 29.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.311 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.71 ' HE2' HD23 ' B' ' 100' ' ' LEU . 8.6 mttm -78.47 -32.55 48.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.151 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.26 14.85 8.73 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.486 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.93 84.92 2.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 110.048 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.839 HG22 ' ND2' ' C' ' 32' ' ' ASN . 0.3 OUTLIER -94.87 27.26 3.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.005 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 30' ' ' THR . . . . . 0.562 HG22 HE21 ' C' ' 31' ' ' GLN . 3.1 m -102.1 -47.4 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.426 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.723 ' HB3' HD11 ' B' ' 96' ' ' ILE . 2.0 mm-40 -72.78 -23.3 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.531 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 32' ' ' ASN . . . . . 0.839 ' ND2' HG22 ' C' ' 29' ' ' THR . 24.0 p-10 -48.58 -45.04 37.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -56.59 -32.24 65.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.126 0.488 . . . . 0.0 110.136 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.416 ' HA ' ' CD1' ' B' ' 84' ' ' LEU . 1.1 mmmm -73.31 -38.6 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.306 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.658 HD12 ' CA ' ' C' ' 20' ' ' ARG . 1.8 mt -70.11 -32.04 69.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -77.06 -32.54 56.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.002 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 1.005 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -76.94 -44.66 30.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.521 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.547 ' HD2' HD21 ' C' ' 16' ' ' LEU . 2.5 t80 -67.04 -39.71 87.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.274 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.676 ' HA ' HD13 ' C' ' 16' ' ' LEU . 42.1 t80 -64.37 -53.16 52.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.192 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.86 -49.83 76.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.116 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.461 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 90.9 m -56.21 -42.74 77.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.835 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.735 ' HB3' HD21 ' C' ' 13' ' ' LEU . 7.1 mt -61.56 -33.97 74.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.15 0.5 . . . . 0.0 110.291 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.751 ' HG3' HD13 ' C' ' 13' ' ' LEU . 15.5 mtpt -79.29 -34.38 42.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.561 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -45.19 140.57 3.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.449 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.66 -43.51 1.32 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.609 2.206 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.544 HD11 HD13 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.91 -52.8 64.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.357 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.881 ' CE1' HD21 ' C' ' 51' ' ' LEU . 23.7 t80 -58.26 -44.94 88.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.365 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -56.43 -39.43 73.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -44.66 95.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.864 HG12 HD21 ' A' ' 53' ' ' LEU . 25.6 mt -56.78 -44.75 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.806 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.881 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -67.66 -34.31 76.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.276 179.49 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.9 m -53.89 -50.26 66.74 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.908 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.814 HD21 HG12 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -61.19 -46.15 91.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.646 178.768 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -32.73 69.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.884 178.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -66.52 -36.88 83.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.887 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 39.9 t -60.61 -47.59 85.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.816 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 1.017 HG21 HG21 ' D' ' 131' ' ' ILE . 60.2 mt -60.17 -38.38 76.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.983 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -58.46 -37.51 75.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.014 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -40.55 90.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.092 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.5 mt -53.97 -49.73 68.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.673 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.857 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.794 HD11 HG22 ' D' ' 133' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.543 0.211 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 1.034 HD13 ' HB3' ' A' ' 37' ' ' ALA . 48.6 tp -146.79 -45.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.878 0.371 . . . . 0.0 111.579 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.56 96.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -178.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.95 HG12 HG13 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -49.63 -24.97 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.852 -178.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.29 -41.21 94.36 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.023 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -81.14 -36.12 30.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.797 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.838 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -71.98 -31.34 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.394 179.337 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.506 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 15.6 t80 -72.36 -49.93 30.43 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.128 0.489 . . . . 0.0 109.806 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 30.1 t -61.75 -29.31 70.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.369 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 92' ' ' SER . . . . . 0.511 ' C ' HD12 ' D' ' 96' ' ' ILE . 32.0 t -63.06 -52.58 62.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.348 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.739 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.7 OUTLIER -56.99 -35.46 69.21 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.497 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 94' ' ' LYS . . . . . 0.581 ' HE2' HD22 ' D' ' 113' ' ' LEU . 0.5 OUTLIER -59.24 -43.24 92.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.748 179.135 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.04 -54.23 19.88 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.694 HG23 HD21 ' A' ' 23' ' ' LEU . 7.2 mt -50.72 -36.66 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.894 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.601 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.85 -53.23 57.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.059 179.638 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -80.89 -2.34 47.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.538 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 99' ' ' THR . . . . . 0.402 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.5 m -99.06 -33.45 10.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.662 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.886 HD12 HD11 ' D' ' 109' ' ' ILE . 27.1 mt -89.1 -56.16 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.653 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 43.11 38.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.526 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.15 19.62 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.935 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.54 -71.09 0.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.73 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -34.85 74.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.222 0.534 . . . . 0.0 109.907 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.829 ' O ' HD12 ' D' ' 109' ' ' ILE . 59.0 m -67.87 -38.24 82.84 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.324 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -38.62 89.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.063 0.459 . . . . 0.0 110.298 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.07 -40.58 87.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.703 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.741 ' HB3' HG13 ' A' ' 15' ' ' VAL . 14.4 m-20 -70.41 -43.59 69.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.886 HD11 HD12 ' D' ' 100' ' ' LEU . 3.9 mt -58.55 -49.25 83.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.48 178.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.678 ' HA ' HD12 ' D' ' 113' ' ' LEU . 63.8 m -58.01 -34.65 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.101 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.565 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.84 -51.17 70.07 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.913 179.005 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.826 HD21 ' CG1' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -64.41 -40.65 96.21 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.799 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' D' ' 110' ' ' SER . 8.1 mt -58.73 -41.39 86.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.619 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 114' ' ' GLN . . . . . 0.426 ' HG2' ' CD1' ' D' ' 115' ' ' LEU . 0.1 OUTLIER -65.97 -52.08 52.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.312 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.579 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.5 mp -56.3 -49.04 75.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.27 0.557 . . . . 0.0 109.947 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.95 HG13 HG12 ' D' ' 86' ' ' ILE . 87.8 t -57.82 -48.61 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.634 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 52.5 mt-30 -76.18 -8.73 57.68 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 118' ' ' ASN . . . . . 0.429 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.6 OUTLIER -62.5 135.51 57.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.72 0.295 . . . . 0.0 110.421 179.554 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 119' ' ' LYS . . . . . 0.487 ' HG2' ' HB1' ' B' ' 130' ' ' ALA . 0.0 OUTLIER -56.35 -58.88 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.76 -179.414 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.19 -50.03 74.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.522 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.9 t80 -55.79 -56.19 23.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.793 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -34.74 63.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.506 ' HB3' HG12 ' B' ' 127' ' ' ILE . 1.1 m120 -63.21 -51.56 65.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.005 0.431 . . . . 0.0 110.795 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.818 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -57.0 -39.49 74.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.977 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.595 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 1.7 t80 -63.79 -39.68 94.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.768 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -62.62 -35.88 81.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.412 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 1.028 HD11 HD11 ' B' ' 127' ' ' ILE . 20.9 mt -64.7 -49.34 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.803 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.775 ' O ' ' HB ' ' D' ' 132' ' ' THR . 6.3 t-80 -67.07 -31.45 71.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.285 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.87 ' O ' HG23 ' D' ' 133' ' ' VAL . 61.4 t-20 -66.09 -61.24 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.83 60.0 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 1.017 HG21 HG21 ' C' ' 57' ' ' ILE . 52.9 mt -53.99 -43.22 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.27 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.775 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.3 OUTLIER -59.33 -46.66 88.0 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.285 0.564 . . . . 0.0 109.563 178.889 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.87 HG23 ' O ' ' D' ' 129' ' ' ASN . 47.4 t -56.08 -44.73 79.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.693 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -32.54 73.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.135 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 135' ' ' MET . . . . . 0.409 ' HE3' ' HA ' ' D' ' 132' ' ' THR . 11.5 ttm . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.599 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.802 0.335 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.8 ' O ' HG23 ' A' ' 12' ' ' VAL . 27.3 mt-10 -63.08 -55.11 28.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 11.5 ttpt -60.76 -45.18 95.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.631 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -42.06 97.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.966 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.526 ' NE2' HG23 ' A' ' 15' ' ' VAL . 31.9 tp60 -68.56 -35.38 77.34 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 8' ' ' GLU . 41.9 t -62.83 -52.22 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.394 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.63 ' HA ' HD12 ' A' ' 16' ' ' LEU . 8.4 mt -55.4 -42.82 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.151 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -28.33 66.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.758 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.81 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.6 t -73.79 -38.52 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.988 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 13' ' ' LEU . 15.7 mt -64.11 -42.01 97.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -43.25 74.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -65.13 -54.25 32.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.04 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.776 HD12 HD11 ' D' ' 112' ' ' LEU . 41.3 mt -51.89 -55.8 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.781 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.64 ' CB ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -52.25 -40.57 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.941 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.82 -42.34 96.51 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.745 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.8 mmtp -61.94 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.558 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.674 HD21 HG23 ' D' ' 96' ' ' ILE . 35.0 mt -62.87 -50.58 70.35 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -55.83 -33.07 64.13 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.31 -27.41 29.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.495 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . 1.2 mmtp -80.89 -30.22 35.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.242 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.17 22.79 6.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.108 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.7 83.21 2.0 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.991 0.425 . . . . 0.0 109.887 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.04 36.0 1.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.253 0.549 . . . . 0.0 109.914 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -109.93 -44.22 3.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.724 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.669 ' HB3' HD11 ' D' ' 96' ' ' ILE . 4.9 mp0 -70.67 -23.05 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.408 ' HB2' ' CD ' ' A' ' 20' ' ' ARG . 6.5 p-10 -46.37 -45.83 18.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.36 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -57.02 -32.7 66.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.921 0.391 . . . . 0.0 110.362 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.549 ' O ' HD13 ' D' ' 84' ' ' LEU . 21.9 mmmt -72.16 -39.44 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 109.911 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.64 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.6 mt -70.41 -29.6 66.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.602 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -74.28 -34.85 63.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.968 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' D' ' 84' ' ' LEU . . . -74.5 -48.79 25.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.713 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.698 ' CE2' HD11 ' A' ' 42' ' ' LEU . 14.2 t80 -62.31 -50.98 69.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.338 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.596 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -56.53 -54.31 47.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.743 179.753 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.87 -49.77 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.939 HG22 ' CD2' ' A' ' 47' ' ' PHE . 52.7 m -58.28 -38.02 76.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.728 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.698 HD11 ' CE2' ' A' ' 38' ' ' PHE . 8.4 mt -64.06 -32.67 74.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.475 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -76.41 -32.02 58.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.93 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 t -51.5 137.42 31.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.328 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.72 -37.46 2.23 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.51 2.14 . . . . 0.0 112.172 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.591 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.2 OUTLIER -60.35 -53.86 52.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.147 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.939 ' CD2' HG22 ' A' ' 41' ' ' THR . 10.3 t80 -58.84 -45.02 91.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.387 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -57.72 -36.06 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.324 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.51 -41.79 98.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.19 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.797 HG12 HD21 ' C' ' 53' ' ' LEU . 5.9 mt -59.05 -49.04 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.738 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.607 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -62.94 -37.53 87.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.37 179.778 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.4 m -53.69 -50.0 66.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.936 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.862 HD21 HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -58.92 -41.98 88.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.534 178.85 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.642 HE21 ' HB2' ' D' ' 124' ' ' ALA . 7.2 mm-40 -60.4 -39.13 86.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.222 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -59.73 -39.82 85.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.127 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 t -61.03 -45.13 96.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.773 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.773 HD13 HD11 ' C' ' 46' ' ' LEU . 3.0 mt -60.08 -36.38 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.323 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -61.07 -41.18 96.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.929 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -62.12 -39.17 91.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.207 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.2 mt -57.61 -48.02 80.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.685 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.522 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 8.0 mtmm -64.72 -33.0 74.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.222 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.607 -179.865 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.934 0.397 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.598 ' N ' HD13 ' B' ' 83' ' ' ILE . 0.4 OUTLIER -92.2 -165.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.844 HD13 ' HB3' ' C' ' 37' ' ' ALA . 28.9 tp -163.6 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.27 104.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.49 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.859 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -49.61 -26.34 2.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.766 -179.346 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.27 -46.11 88.34 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.308 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.81 -35.29 51.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.483 . . . . 0.0 109.967 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.792 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.53 -30.38 65.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.471 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 11.0 t80 -72.6 -50.34 26.07 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.225 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 11.5 m -62.41 -29.34 70.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.527 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' SER . . . . . 0.448 ' C ' HD12 ' B' ' 96' ' ' ILE . 56.3 m -64.07 -52.16 60.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.625 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.771 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.7 OUTLIER -57.08 -36.18 70.26 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.521 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -59.21 -42.1 90.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.767 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.01 -53.35 20.97 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.671 HG23 HD21 ' C' ' 23' ' ' LEU . 8.3 mt -51.02 -38.08 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.902 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.747 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -61.82 -53.81 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.095 179.675 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.71 -4.89 53.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.409 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 99' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.8 m -95.5 -33.3 12.49 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.457 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.887 HD12 HD11 ' B' ' 109' ' ' ILE . 18.2 mt -89.31 -54.32 4.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.252 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.26 36.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.672 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 102' ' ' ASP . . . . . 0.424 ' HB2' ' HB2' ' B' ' 105' ' ' SER . 0.5 OUTLIER -98.59 23.92 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.567 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.46 -72.87 0.07 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.75 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 104' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -59.87 -29.53 68.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.201 0.524 . . . . 0.0 109.936 179.18 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.861 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -70.38 -42.32 71.89 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.375 179.305 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -61.81 -35.0 76.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.049 0.452 . . . . 0.0 110.315 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.97 -41.41 74.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.741 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.847 ' HB3' HG13 ' C' ' 15' ' ' VAL . 43.0 m-20 -70.8 -43.0 69.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.644 0.735 . . . . 0.0 109.053 179.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.887 HD11 HD12 ' B' ' 100' ' ' LEU . 4.2 mt -60.33 -49.34 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.41 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.636 ' HA ' HD12 ' B' ' 113' ' ' LEU . 8.4 t -57.67 -33.72 68.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.934 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.622 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.95 -51.55 68.74 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.821 178.822 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.888 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.9 mt -63.48 -43.72 96.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.335 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' B' ' 110' ' ' SER . 6.3 mt -55.17 -41.88 72.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.787 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -61.75 -51.99 66.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.755 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.589 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.3 mp -60.25 -49.07 79.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.256 0.551 . . . . 0.0 110.264 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 112' ' ' LEU . 48.2 t -57.36 -34.22 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.577 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.439 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 54.7 mt-30 -90.29 -10.86 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.75 141.7 52.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 110.528 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -58.76 5.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.274 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.94 -45.35 95.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.71 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 12.3 t80 -55.94 -56.02 25.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.757 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.94 -37.15 60.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.803 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 123' ' ' ASN . . . . . 0.423 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.6 OUTLIER -62.78 -51.4 67.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.841 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -61.8 -46.68 88.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.784 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.623 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 4.4 t80 -60.77 -35.55 76.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -38.58 89.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.66 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 1.078 HD11 HD11 ' D' ' 127' ' ' ILE . 12.3 mt -63.41 -49.79 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.832 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.63 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.2 t-80 -66.59 -32.49 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.051 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.926 ' O ' HG23 ' B' ' 133' ' ' VAL . 34.3 t-20 -63.15 -60.68 3.1 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 130' ' ' ALA . . . . . 0.532 ' HB1' ' NZ ' ' D' ' 119' ' ' LYS . . . -67.39 -51.66 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.675 HD12 HG22 ' B' ' 127' ' ' ILE . 55.4 mt -53.31 -38.07 30.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.759 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.63 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.8 OUTLIER -63.09 -53.19 57.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.451 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.926 HG23 ' O ' ' B' ' 129' ' ' ASN . 24.9 t -53.28 -49.98 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -30.97 72.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.265 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 28.4 ttm -58.63 -50.82 72.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.776 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 8.6 m120 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.868 0.366 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.874 ' O ' HG23 ' C' ' 12' ' ' VAL . 3.1 mm-40 -68.0 -53.97 21.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.0 OUTLIER -51.92 -40.98 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 10' ' ' MET . . . . . 0.488 ' HE3' HD12 ' C' ' 13' ' ' LEU . 3.3 tpt -61.59 -53.17 59.9 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.713 ' O ' HG23 ' C' ' 15' ' ' VAL . 25.6 tp60 -60.06 -31.56 70.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.771 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.874 HG23 ' O ' ' C' ' 8' ' ' GLU . 87.9 t -63.44 -47.67 90.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.81 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' C' ' 16' ' ' LEU . 13.5 mt -58.38 -46.12 86.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.048 0.452 . . . . 0.0 110.007 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -27.86 68.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.665 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.847 HG13 ' HB3' ' B' ' 108' ' ' ASP . 4.8 t -73.01 -40.64 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.206 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' C' ' 13' ' ' LEU . 7.3 mt -64.06 -39.14 93.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.835 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.86 -39.15 69.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.675 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -66.61 -54.42 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.804 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.631 HD22 HD12 ' B' ' 100' ' ' LEU . 79.9 mt -53.63 -57.29 11.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.39 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.723 ' HA ' HD12 ' C' ' 23' ' ' LEU . 0.9 OUTLIER -50.61 -37.65 41.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.816 179.604 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.41 -49.43 76.56 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.755 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.591 ' HB3' HD22 ' B' ' 100' ' ' LEU . 12.4 mttm -62.13 -34.21 75.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 0.0 110.601 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' C' ' 20' ' ' ARG . 33.6 mt -66.45 -50.46 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.501 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.439 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -59.41 -26.77 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.123 179.295 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.29 -31.21 30.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.713 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' B' ' 100' ' ' LEU . 0.7 OUTLIER -81.17 -34.99 32.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.355 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.24 15.92 5.87 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.634 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -111.17 81.74 1.49 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.93 0.395 . . . . 0.0 109.97 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.439 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -91.54 11.42 24.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.142 179.803 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 50.8 m -75.65 -39.52 57.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.409 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.659 ' HB3' HD11 ' B' ' 96' ' ' ILE . 0.9 OUTLIER -84.62 -18.52 35.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.555 179.458 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.77 -52.9 13.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.018 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.71 -35.11 68.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.438 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.41 ' HG3' ' OG ' ' B' ' 92' ' ' SER . 23.7 mmmt -64.46 -41.55 96.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.185 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.684 HD12 ' CB ' ' C' ' 20' ' ' ARG . 1.8 mt -70.22 -31.73 69.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.692 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -33.96 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.802 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.844 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -71.62 -43.52 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.39 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.71 ' CD2' HD21 ' C' ' 16' ' ' LEU . 2.4 t80 -70.71 -49.88 42.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.412 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.684 ' CA ' HD13 ' C' ' 16' ' ' LEU . 28.9 t80 -57.49 -53.73 54.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.245 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.42 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 39.1 mt-10 -58.92 -49.22 78.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.454 HG22 ' CD2' ' C' ' 47' ' ' PHE . 93.7 m -57.77 -39.22 76.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.612 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.692 HD11 ' CE1' ' C' ' 38' ' ' PHE . 3.5 mt -61.72 -33.54 74.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.292 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.482 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -73.09 -32.38 64.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.911 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -47.04 130.89 9.09 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.372 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.11 -33.61 31.01 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.412 2.074 . . . . 0.0 111.979 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.773 HD11 HD13 ' A' ' 57' ' ' ILE . 0.5 OUTLIER -63.94 -55.26 23.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.213 179.603 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.689 ' CE1' HD21 ' C' ' 51' ' ' LEU . 9.7 t80 -58.02 -42.85 86.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.32 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -56.15 -37.89 70.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.451 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -64.47 -42.01 96.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.226 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.862 HG12 HD21 ' A' ' 53' ' ' LEU . 7.0 mt -58.22 -44.77 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.881 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.689 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -67.94 -35.44 78.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.19 179.678 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 40.1 m -53.86 -49.73 67.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.003 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.797 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -60.98 -46.51 90.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.661 178.688 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.702 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -59.92 -32.14 70.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.18 179.054 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -64.88 -39.67 93.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.035 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 4.9 m -61.72 -43.85 98.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.671 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.787 HG21 HG21 ' D' ' 131' ' ' ILE . 5.3 mt -59.69 -39.62 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.938 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 58' ' ' LYS . . . . . 0.413 ' HA ' ' CG ' ' C' ' 61' ' ' LYS . 0.0 OUTLIER -62.6 -32.56 73.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.487 178.528 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -43.23 99.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.8 OUTLIER -56.11 -65.01 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.917 178.796 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 61' ' ' LYS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 58' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.209 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.894 HG21 ' HA ' ' D' ' 129' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 0.721 HD23 ' HZ ' ' D' ' 125' ' ' PHE . 2.2 pt? -162.51 -4.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 85' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.2 OUTLIER 60.52 141.7 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.96 0.41 . . . . 0.0 110.82 179.671 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.741 HG23 HG12 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -70.36 -32.18 49.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.429 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.05 -42.16 99.65 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.581 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 88' ' ' ASP . . . . . 0.429 ' HB3' ' NZ ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -75.78 -44.26 42.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.704 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -72.68 -28.5 62.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.974 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' D' ' 86' ' ' ILE . 38.0 t80 -70.48 -41.29 72.91 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.8 -31.77 72.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.201 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 92' ' ' SER . . . . . 0.797 ' C ' HD12 ' D' ' 96' ' ' ILE . 0.1 OUTLIER -65.06 -52.03 58.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.36 179.178 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -56.61 -35.97 68.89 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.445 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -59.21 -45.75 90.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.641 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.14 -55.86 14.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.797 HD12 ' C ' ' D' ' 92' ' ' SER . 4.7 mt -50.92 -33.92 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.082 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.608 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -64.71 -51.14 64.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.95 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -75.93 -21.98 56.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.063 0.459 . . . . 0.0 110.388 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.13 -34.07 26.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.026 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.622 HD12 ' CG2' ' D' ' 96' ' ' ILE . 92.9 mt -106.37 81.08 1.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.04 36.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.116 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.34 11.43 14.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.879 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 103' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' D' ' 106' ' ' GLN . 0.2 OUTLIER 75.97 -67.52 0.23 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.176 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -31.44 71.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.145 0.498 . . . . 0.0 110.045 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.772 ' O ' HD12 ' D' ' 109' ' ' ILE . 2.8 m -72.17 -44.95 62.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.968 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 106' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' D' ' 103' ' ' SER . 3.0 pt20 -63.52 -30.1 71.27 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.622 0.249 . . . . 0.0 110.585 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -39.25 64.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.975 0.417 . . . . 0.0 110.093 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.736 ' CG ' HG22 ' A' ' 15' ' ' VAL . 26.1 m-20 -70.3 -41.88 72.76 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.772 HD12 ' O ' ' D' ' 105' ' ' SER . 4.1 mt -59.96 -49.55 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.372 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.644 ' HA ' HD12 ' D' ' 113' ' ' LEU . 2.3 t -54.89 -36.78 65.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.745 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.596 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.23 -50.89 69.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.981 178.845 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.842 ' O ' HG23 ' D' ' 116' ' ' VAL . 3.6 mt -61.41 -44.51 97.01 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.193 0.521 . . . . 0.0 109.659 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' D' ' 110' ' ' SER . 2.8 mt -55.66 -43.13 76.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.598 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -61.51 -49.35 77.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.44 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.637 ' CD2' HG21 ' A' ' 12' ' ' VAL . 2.2 mp -60.69 -47.72 84.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.322 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.842 HG23 ' O ' ' D' ' 112' ' ' LEU . 41.3 t -63.02 -38.67 82.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.488 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 25.4 mt-30 -81.07 -12.59 59.27 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.59 133.48 53.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.75 0.309 . . . . 0.0 110.749 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 119' ' ' LYS . . . . . 0.532 ' NZ ' ' HB1' ' B' ' 130' ' ' ALA . 0.0 OUTLIER -57.38 -58.79 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.462 -179.341 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -50.25 74.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.5 t80 -56.96 -39.86 75.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.494 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 122' ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 20.0 mt-30 -58.69 -47.96 82.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.114 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.427 ' HB3' HG12 ' B' ' 127' ' ' ILE . 68.2 m-20 -61.59 -42.47 98.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.995 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.887 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.71 -49.23 75.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.721 ' HZ ' HD23 ' D' ' 84' ' ' LEU . 10.5 t80 -60.16 -36.71 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.673 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 126' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 19.6 mmtt -62.81 -34.74 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.405 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 1.078 HD11 HD11 ' B' ' 127' ' ' ILE . 10.3 mt -69.38 -50.03 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.694 ' O ' ' HB ' ' D' ' 132' ' ' THR . 27.6 t-80 -63.5 -48.43 77.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.774 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.894 ' HA ' HG21 ' D' ' 83' ' ' ILE . 1.3 t30 -55.57 -60.36 3.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.042 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.46 -52.07 66.78 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.787 HG21 HG21 ' C' ' 57' ' ' ILE . 56.4 mt -58.63 -41.51 82.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.431 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.694 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -61.58 -48.57 80.38 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.152 0.501 . . . . 0.0 109.654 179.042 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' D' ' 132' ' ' THR . 47.1 t -57.86 -46.12 87.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.276 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -63.44 -32.28 73.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.039 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 135' ' ' MET . . . . . 0.45 ' HE2' HG22 ' D' ' 131' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.165 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.549 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.817 0.341 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.0 pt-20 -67.91 -42.0 81.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.754 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.713 ' HD2' HD22 ' A' ' 42' ' ' LEU . 2.6 tptt -65.98 -44.9 83.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.4 -38.63 87.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.579 ' NE2' HG23 ' A' ' 15' ' ' VAL . 32.7 tp60 -70.86 -35.24 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 8' ' ' GLU . 19.5 t -60.46 -54.35 36.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.351 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.689 ' HA ' HD12 ' A' ' 16' ' ' LEU . 15.5 mt -57.93 -43.83 86.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.884 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -28.39 69.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.554 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.819 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.2 t -73.78 -39.47 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.802 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 13' ' ' LEU . 23.3 mt -61.83 -39.69 92.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.647 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.36 -40.22 70.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -65.36 -54.71 24.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.655 HD12 HD11 ' D' ' 112' ' ' LEU . 77.2 mt -52.98 -53.75 45.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.075 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.775 ' HB2' HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -50.13 -45.88 53.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.825 179.328 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.16 67.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.916 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.771 ' HB3' HD22 ' D' ' 100' ' ' LEU . 1.1 mttm -66.76 -31.96 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.862 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.725 HD21 HG23 ' D' ' 96' ' ' ILE . 60.2 mt -67.41 -50.58 58.86 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.085 0.469 . . . . 0.0 110.543 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.405 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.6 OUTLIER -62.86 -26.5 68.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.908 179.055 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.79 -33.32 27.33 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.74 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.8 OUTLIER -78.39 -33.52 48.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.491 -179.726 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.83 25.79 3.81 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.575 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -122.7 83.86 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.916 0.389 . . . . 0.0 109.999 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -94.05 13.2 23.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.562 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.465 HG22 ' NE2' ' A' ' 31' ' ' GLN . 1.4 m -78.59 -55.75 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.181 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.624 ' HB3' HD11 ' D' ' 96' ' ' ILE . 23.1 mp0 -67.48 -14.5 62.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.607 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -51.22 -45.63 61.97 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.736 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -57.5 -33.54 68.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.565 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -70.6 -35.68 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.398 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.775 HD12 ' HB2' ' A' ' 20' ' ' ARG . 2.9 mt -70.4 -36.63 74.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.371 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.4 p -73.14 -32.1 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.137 0.494 . . . . 0.0 109.907 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.834 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -75.17 -44.32 47.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.549 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.549 ' HD2' HD21 ' A' ' 16' ' ' LEU . 3.1 t80 -68.72 -47.29 66.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.286 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.579 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -56.3 -53.46 56.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.928 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -51.41 69.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.536 HG22 ' CE2' ' A' ' 47' ' ' PHE . 89.4 m -55.56 -39.57 70.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.713 HD22 ' HD2' ' A' ' 9' ' ' LYS . 6.6 mt -62.88 -35.44 80.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.547 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -72.37 -28.87 63.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.088 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 47' ' ' PHE . 67.1 m -42.45 128.92 2.9 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.447 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.82 -58.64 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.571 2.181 . . . . 0.0 112.67 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.825 HD13 HG12 ' C' ' 57' ' ' ILE . 0.5 OUTLIER -57.7 -34.3 69.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.536 ' CE2' HG22 ' A' ' 41' ' ' THR . 9.2 t80 -62.32 -47.81 82.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.105 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -55.89 -37.57 69.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.026 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.9 -41.1 97.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.352 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.605 HG12 HD21 ' C' ' 53' ' ' LEU . 2.4 mt -60.13 -45.71 95.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.715 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.561 HD12 ' NZ ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -64.09 -44.23 92.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.342 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.0 m -54.56 -39.58 67.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.0 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.797 HD21 HG12 ' C' ' 50' ' ' ILE . 0.9 OUTLIER -61.5 -50.43 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.012 178.892 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.557 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 1.1 mp0 -59.73 -31.84 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.943 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -40.24 96.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.931 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.7 t -60.83 -48.82 80.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.687 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.772 HG21 HG21 ' B' ' 131' ' ' ILE . 67.4 mt -59.8 -34.93 57.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.923 178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -42.45 89.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.037 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -62.81 -40.74 98.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.945 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.9 mt -55.53 -42.04 74.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.637 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -63.69 -50.52 68.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.6 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.853 0.359 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.856 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -98.27 -159.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.971 HD13 ' HB3' ' C' ' 37' ' ' ALA . 25.1 tp -155.22 -36.87 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.04 104.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.508 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.944 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -49.88 -25.01 2.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.626 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.26 -48.38 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.069 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.4 -34.73 58.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.803 178.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.744 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.42 -29.04 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.453 179.387 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.552 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 8.2 t80 -72.39 -50.54 25.78 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.904 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.5 t -63.31 -27.2 69.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.484 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' SER . . . . . 0.419 ' C ' HD12 ' B' ' 96' ' ' ILE . 55.8 m -65.33 -51.57 59.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.651 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.717 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -58.36 -38.33 77.01 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.564 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -59.39 -39.89 84.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.581 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.404 ' O ' ' N ' ' B' ' 99' ' ' THR . 0.7 OUTLIER -69.73 -53.52 18.07 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.228 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.687 HG23 HD21 ' C' ' 23' ' ' LEU . 9.4 mt -51.33 -39.69 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.041 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.92 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -62.51 -52.06 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.039 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -80.0 -4.45 52.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.503 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' THR . . . . . 0.404 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -96.66 -34.0 11.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.304 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.952 HD12 HD11 ' B' ' 109' ' ' ILE . 71.8 mt -91.62 -54.92 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.076 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.87 38.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.695 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.44 27.37 5.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.454 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 50.1 m 65.03 -73.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.597 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -60.39 -26.8 66.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.847 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.868 ' O ' HD12 ' B' ' 109' ' ' ILE . 53.9 p -73.12 -50.65 21.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.199 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -62.46 -30.84 71.54 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' B' ' 104' ' ' GLN . 4.3 pt-20 -73.87 -39.73 63.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.371 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.727 ' HB3' HG13 ' C' ' 15' ' ' VAL . 24.8 m-20 -71.23 -42.1 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.952 HD11 HD12 ' B' ' 100' ' ' LEU . 4.1 mt -60.13 -49.55 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.818 178.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.585 ' HA ' HD12 ' B' ' 113' ' ' LEU . 4.3 t -57.32 -37.33 72.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.546 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.644 ' CD2' HG22 ' C' ' 12' ' ' VAL . 7.6 tt -58.0 -48.1 81.04 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.972 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.757 HD21 ' CG1' ' C' ' 15' ' ' VAL . 3.1 mt -63.5 -43.59 96.8 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.624 ' CD1' HG22 ' B' ' 109' ' ' ILE . 3.2 mt -55.73 -43.95 77.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.442 179.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.18 -46.18 91.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.741 ' CD2' HG21 ' C' ' 12' ' ' VAL . 5.7 mp -61.81 -45.93 91.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.977 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.944 HG13 HG12 ' B' ' 86' ' ' ILE . 73.3 t -60.31 -46.37 95.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.571 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.458 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 52.1 mt-30 -74.57 -16.76 60.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.498 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 50.1 t-20 -59.62 131.36 50.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.849 0.357 . . . . 0.0 110.385 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -54.42 -58.78 6.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.979 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.21 -50.41 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.399 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.498 ' HB3' ' HB3' ' B' ' 118' ' ' ASN . 11.7 t80 -58.23 -56.22 24.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.94 0.4 . . . . 0.0 110.522 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -55.48 -30.72 61.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.8 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' ASN . . . . . 0.549 ' HB3' HG12 ' D' ' 127' ' ' ILE . 71.0 m-20 -68.35 -51.13 47.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.533 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.885 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -59.32 -47.92 83.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.615 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.584 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 4.4 t80 -58.82 -34.94 72.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.636 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -65.35 -37.53 87.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.434 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 1.034 HD11 HD11 ' D' ' 127' ' ' ILE . 13.0 mt -62.98 -49.78 82.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.666 ' O ' ' HB ' ' B' ' 132' ' ' THR . 23.3 t-80 -63.49 -48.94 75.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.91 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.851 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.1 t30 -55.22 -60.2 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.931 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.17 -52.06 66.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.74 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.774 HD12 HG22 ' B' ' 127' ' ' ILE . 68.9 mt -57.36 -46.7 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.21 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.856 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.5 OUTLIER -57.12 -46.05 82.96 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.277 0.56 . . . . 0.0 109.664 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.851 HG23 ' O ' ' B' ' 129' ' ' ASN . 90.1 t -56.42 -49.46 76.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.155 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -63.75 -31.02 72.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.341 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 135' ' ' MET . . . . . 0.402 ' HE3' ' HA ' ' B' ' 132' ' ' THR . 27.7 ttm -56.35 -60.05 4.08 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 14.4 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.818 0.342 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.814 ' O ' HG23 ' C' ' 12' ' ' VAL . 5.7 mm-40 -61.73 -54.03 48.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.704 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.7 tmmm? -60.98 -42.45 98.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.468 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.41 -44.83 96.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.142 0.496 . . . . 0.0 109.692 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.496 ' O ' ' HG3' ' C' ' 14' ' ' GLN . 1.9 tp-100 -66.56 -35.96 81.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.365 178.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.814 HG23 ' O ' ' C' ' 8' ' ' GLU . 43.4 t -60.26 -43.4 93.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.475 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.765 HD13 ' HZ3' ' C' ' 43' ' ' LYS . 7.2 mt -62.5 -52.73 62.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.887 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 14' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' C' ' 11' ' ' GLN . 0.0 OUTLIER -67.16 -27.68 67.49 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.656 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.757 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.3 t -72.86 -37.05 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.858 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.73 HD21 ' CD2' ' C' ' 38' ' ' PHE . 9.7 mt -64.13 -46.96 81.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.749 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.4 -38.8 91.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.636 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -53.4 51.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.976 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.616 HD12 HD11 ' B' ' 112' ' ' LEU . 39.2 mt -51.98 -57.36 9.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.72 ' HB2' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -52.18 -37.47 54.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.875 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.45 -47.02 92.19 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.913 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.724 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.2 mttm -64.21 -31.7 73.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.733 0.302 . . . . 0.0 110.698 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.687 HD21 HG23 ' B' ' 96' ' ' ILE . 40.3 mt -68.21 -50.43 54.2 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.774 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -32.28 66.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -82.75 -27.66 30.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.153 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' C' ' 23' ' ' LEU . 3.6 mmtp -77.27 -35.18 55.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.11 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.51 5.2 16.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -106.81 87.04 2.43 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.021 0.439 . . . . 0.0 110.146 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.45 14.62 14.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.026 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -84.01 -52.08 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.448 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.42 ' HB3' HD11 ' B' ' 96' ' ' ILE . 11.0 mp0 -72.57 -20.96 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.645 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -53.03 -45.36 67.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.93 -32.65 66.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.197 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -67.6 -45.14 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.258 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.72 HD12 ' HB2' ' C' ' 20' ' ' ARG . 2.0 mt -61.81 -37.67 85.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.437 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 22.8 p -71.46 -31.66 67.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.119 0.485 . . . . 0.0 109.911 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.971 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.39 -44.8 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.363 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.73 ' CD2' HD21 ' C' ' 16' ' ' LEU . 2.6 t80 -71.6 -44.72 63.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.146 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.577 ' HB2' ' O ' ' C' ' 35' ' ' LEU . 8.3 t80 -53.62 -53.22 54.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.003 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -52.12 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 87.2 m -54.51 -33.6 60.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.946 0.403 . . . . 0.0 110.794 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 0.3 OUTLIER -68.52 -37.6 80.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.765 ' HZ3' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -69.44 -27.91 65.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.805 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -49.13 124.38 13.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.261 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.62 -37.65 36.06 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.405 2.07 . . . . 0.0 112.052 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.719 HD11 HD11 ' A' ' 57' ' ' ILE . 0.9 OUTLIER -63.94 -47.89 78.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.1 179.532 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.782 ' CE1' HD21 ' C' ' 51' ' ' LEU . 20.9 t80 -57.75 -47.54 82.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.416 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -55.92 -37.41 68.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.372 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -61.91 -42.88 99.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.256 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.797 HG12 HD21 ' A' ' 53' ' ' LEU . 2.7 mt -58.46 -46.5 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.544 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.782 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -65.83 -35.62 81.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.169 179.52 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 28.3 m -53.59 -52.16 60.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.101 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.605 HD21 HG12 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -59.35 -44.02 92.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.783 178.836 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.494 HE21 ' HB2' ' B' ' 124' ' ' ALA . 4.0 mt-30 -60.31 -35.54 75.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.305 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.38 -41.67 98.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.189 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -46.41 90.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.185 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.825 HG12 HD13 ' A' ' 46' ' ' LEU . 34.8 mt -59.63 -37.68 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.218 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 58' ' ' LYS . . . . . 0.421 ' HA ' ' CE ' ' C' ' 61' ' ' LYS . 16.1 tppt? -61.85 -37.73 85.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.824 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -38.26 88.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.561 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.1 mt -62.95 -60.24 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.477 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 61' ' ' LYS . . . . . 0.639 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.414 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.585 ' N ' HD13 ' D' ' 83' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 120.967 0.413 . . . . 0.0 111.142 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 0.834 HD13 ' HB3' ' A' ' 37' ' ' ALA . 48.0 tp -129.26 -39.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.21 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 57.33 107.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.347 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.845 HG12 HG13 ' D' ' 116' ' ' VAL . 0.8 OUTLIER -49.82 -25.8 2.43 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.731 -179.399 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.45 -47.47 81.73 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.358 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -77.13 -34.56 56.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.705 HD11 HG21 ' D' ' 116' ' ' VAL . 0.1 OUTLIER -72.22 -30.03 64.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.514 179.432 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.521 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.2 t80 -72.26 -48.16 44.71 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 97.4 p -63.62 -28.39 69.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.421 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 92' ' ' SER . . . . . 0.738 ' O ' HD12 ' D' ' 96' ' ' ILE . 22.9 t -63.76 -53.12 55.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.765 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.5 OUTLIER -58.62 -34.81 71.57 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.338 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -59.66 -42.18 92.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.602 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -68.78 -55.23 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.738 HD12 ' O ' ' D' ' 92' ' ' SER . 4.6 mt -52.95 -33.9 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.23 179.136 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.764 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.1 OUTLIER -66.66 -49.11 67.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.78 -21.27 57.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.37 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.05 -37.02 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.918 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.771 HD22 ' HB3' ' A' ' 22' ' ' LYS . 21.5 mt -107.55 75.5 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -95.26 37.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.26 -178.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.07 28.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.916 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 22.6 t 66.96 -70.59 0.11 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.728 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -34.81 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.05 0.452 . . . . 0.0 110.483 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.861 ' O ' HD12 ' D' ' 109' ' ' ILE . 1.3 m -67.39 -43.44 81.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -34.46 73.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.03 -42.55 72.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.065 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.752 ' CG ' HG22 ' A' ' 15' ' ' VAL . 47.0 m-20 -70.46 -42.26 71.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.653 0.74 . . . . 0.0 109.097 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.861 HD12 ' O ' ' D' ' 105' ' ' SER . 4.2 mt -61.04 -49.54 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.681 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.585 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.1 m -57.59 -33.16 67.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.689 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.634 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -57.42 -51.56 68.93 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.873 178.867 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.841 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 mt -63.48 -42.29 98.56 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.409 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.626 ' CD1' HG22 ' D' ' 109' ' ' ILE . 5.6 mt -57.54 -41.41 80.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.777 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.8 -50.08 73.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.954 0.407 . . . . 0.0 110.497 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.492 HD21 HG21 ' A' ' 12' ' ' VAL . 1.4 mp -60.97 -48.85 79.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.143 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.845 HG13 HG12 ' D' ' 86' ' ' ILE . 47.9 t -60.65 -40.37 84.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.563 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.436 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 44.4 mt-30 -82.21 -10.77 59.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.777 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 118' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.9 OUTLIER -61.43 140.36 58.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 110.55 179.552 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -64.77 -58.28 6.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.306 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.35 -50.08 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.885 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.2 t80 -55.68 -47.31 76.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.451 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.12 -42.7 69.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.469 ' HB3' HG12 ' B' ' 127' ' ' ILE . 24.7 m120 -60.48 -49.52 77.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.0 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.836 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.7 -48.21 78.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.045 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.596 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 10.5 t80 -59.02 -36.49 75.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -64.91 -36.58 84.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 1.034 HD11 HD11 ' B' ' 127' ' ' ILE . 15.5 mt -63.4 -49.72 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 0.0 110.58 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.634 ' O ' ' HB ' ' D' ' 132' ' ' THR . 17.5 t-80 -66.41 -40.83 89.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.077 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.91 ' O ' HG23 ' D' ' 133' ' ' VAL . 0.2 OUTLIER -55.86 -60.88 2.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.181 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.41 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.752 HD12 HG22 ' D' ' 127' ' ' ILE . 46.3 mt -53.83 -35.8 28.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.634 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.3 -50.82 70.13 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.154 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.91 HG23 ' O ' ' D' ' 129' ' ' ASN . 14.4 t -52.94 -50.76 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.037 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -30.8 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.734 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 29.1 ttm . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.848 0.356 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.801 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.2 mt-10 -68.08 -49.08 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.711 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.83 ' HD2' HD22 ' A' ' 42' ' ' LEU . 3.9 tptt -60.1 -44.46 94.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.605 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.447 ' HA ' ' HE2' ' A' ' 10' ' ' MET . 1.8 mmt -61.4 -44.47 97.09 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.7 tp60 -65.81 -37.38 86.1 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 8' ' ' GLU . 43.1 t -59.56 -51.47 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.383 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 16' ' ' LEU . 7.7 mt -57.49 -45.25 85.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.099 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.03 -28.24 68.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.666 178.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.812 HG13 ' HB3' ' D' ' 108' ' ' ASP . 2.6 t -72.7 -39.93 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.843 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.541 HD13 ' CA ' ' A' ' 39' ' ' TYR . 34.1 mt -63.28 -40.08 96.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.918 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -69.38 -44.11 72.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -63.59 -54.14 40.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.571 HD12 HD11 ' D' ' 112' ' ' LEU . 68.8 mt -52.16 -57.33 9.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.967 0.413 . . . . 0.0 110.604 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.631 ' CB ' HD12 ' A' ' 35' ' ' LEU . 3.6 tmm_? -50.03 -37.81 34.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.015 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.12 -48.23 87.16 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.168 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.749 ' HB3' HD22 ' D' ' 100' ' ' LEU . 13.7 mttm -61.37 -35.71 78.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.716 0.293 . . . . 0.0 111.005 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.849 HD23 HD21 ' D' ' 100' ' ' LEU . 24.6 mt -65.09 -50.45 66.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.681 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.86 -27.02 66.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.173 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.58 -33.26 28.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.578 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -81.6 -30.19 33.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.364 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.63 23.56 4.34 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.411 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -114.74 80.56 1.43 Allowed 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.013 0.435 . . . . 0.0 110.028 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.69 23.58 6.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.209 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -92.99 -44.47 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.677 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.608 ' HB3' HD11 ' D' ' 96' ' ' ILE . 4.4 mp0 -72.83 -23.39 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.404 ' ND2' ' HG2' ' A' ' 20' ' ' ARG . 4.1 m120 -46.86 -47.61 21.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.696 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.77 -33.13 66.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.953 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HA ' ' CD1' ' D' ' 84' ' ' LEU . 3.2 mmmm -75.12 -39.52 60.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.954 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.631 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.8 mt -68.64 -32.59 72.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.228 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -33.89 62.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.103 0.478 . . . . 0.0 109.889 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.971 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -74.39 -48.14 29.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.507 179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.738 ' CE2' HD11 ' A' ' 42' ' ' LEU . 45.1 t80 -62.26 -51.89 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.33 0.586 . . . . 0.0 109.889 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.566 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.86 -53.87 49.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.778 179.607 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -57.83 -47.64 82.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.845 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.46 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 78.4 m -58.37 -36.39 73.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.577 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.83 HD22 ' HD2' ' A' ' 9' ' ' LYS . 7.6 mt -65.65 -34.01 77.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.297 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.473 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -80.08 -27.29 39.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.325 -179.747 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.86 138.47 2.31 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.509 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.04 -48.86 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.521 2.147 . . . . 0.0 112.36 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.76 HD11 HD11 ' C' ' 57' ' ' ILE . 2.7 tp -63.52 -46.06 87.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.989 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.923 ' CE1' HD21 ' A' ' 51' ' ' LEU . 22.5 t80 -57.58 -46.84 83.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.35 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -55.84 -39.25 71.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.285 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.29 96.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.37 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.786 HG12 HD21 ' C' ' 53' ' ' LEU . 4.0 mt -59.84 -42.77 90.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.738 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.923 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -69.45 -37.59 77.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.471 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 83.9 m -53.71 -48.9 69.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.185 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.769 HD21 HG12 ' C' ' 50' ' ' ILE . 1.1 tt -61.78 -51.06 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.037 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.653 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -58.87 -31.1 68.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.599 179.681 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -66.72 -39.5 88.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.219 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -39.52 93.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.845 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.677 HG21 HG21 ' B' ' 131' ' ' ILE . 1.5 mt -62.5 -41.0 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.273 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -59.19 -43.83 92.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.331 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -58.98 -42.42 89.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.385 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.592 HD13 HD21 ' C' ' 46' ' ' LEU . 2.1 mt -58.64 -41.43 86.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.781 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.624 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 8.8 mtmm -63.96 -44.6 92.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.891 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.806 0.336 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.683 HG22 ' H ' ' B' ' 84' ' ' LEU . 1.2 mm -88.22 -172.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.355 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.779 ' CD2' HD22 ' B' ' 89' ' ' LEU . 13.6 tp -153.32 -36.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.502 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.58 108.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.937 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -52.81 -26.17 10.2 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.149 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.75 -49.12 76.29 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.074 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -34.07 60.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.258 0.551 . . . . 0.0 109.694 178.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.779 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.23 -29.24 64.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.397 179.298 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 8.8 t80 -72.23 -50.48 27.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.028 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 1.1 m -63.74 -27.08 68.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.492 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.0 m -65.52 -50.82 63.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.666 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.771 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.8 OUTLIER -59.69 -38.93 82.92 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.676 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.418 ' HE3' ' CE1' ' B' ' 90' ' ' PHE . 1.1 mptm? -59.4 -38.65 81.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.578 179.198 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' B' ' 95' ' ' HIS . 0.6 OUTLIER -70.26 -49.14 52.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.161 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' B' ' 93' ' ' LEU . 17.3 mt -53.52 -45.51 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.117 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.848 ' HA ' HD13 ' B' ' 109' ' ' ILE . 1.4 tt0 -58.62 -49.1 78.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.021 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -1.08 48.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 110.586 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 99' ' ' THR . . . . . 0.437 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.8 m -101.23 -31.52 10.96 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.453 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 1.002 HD21 HD23 ' C' ' 23' ' ' LEU . 53.3 mt -92.07 -50.25 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.191 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.52 39.46 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.522 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.6 OUTLIER -101.16 20.1 16.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 179.731 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.2 t 65.73 -71.69 0.08 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.796 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' B' ' 102' ' ' ASP . 65.6 tp60 -59.95 -30.6 69.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.171 0.51 . . . . 0.0 110.048 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.802 ' O ' HD12 ' B' ' 109' ' ' ILE . 2.5 m -70.31 -39.95 74.49 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.534 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -33.91 76.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.015 0.436 . . . . 0.0 110.244 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -40.96 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.499 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.761 ' HB3' HG13 ' C' ' 15' ' ' VAL . 50.6 m-20 -70.61 -43.65 68.88 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.974 HD11 HD12 ' B' ' 100' ' ' LEU . 5.4 mt -59.43 -49.2 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.369 178.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.587 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.1 m -56.69 -34.29 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.07 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.602 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -58.01 -51.29 70.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.994 178.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.834 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.3 mt -63.66 -40.62 97.3 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.652 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.4 mt -58.46 -43.97 89.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.728 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.425 ' HA ' ' OE1' ' B' ' 117' ' ' GLN . 4.9 mt-30 -61.01 -47.44 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.992 0.425 . . . . 0.0 110.693 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.458 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.5 mp -61.24 -46.15 91.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.728 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.937 HG13 HG12 ' B' ' 86' ' ' ILE . 84.8 t -59.95 -47.58 91.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.215 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.527 ' HG2' ' CZ ' ' B' ' 90' ' ' PHE . 5.7 mt-30 -71.65 -23.63 61.72 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.553 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 19.1 t-20 -51.48 127.46 20.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' LYS . . . . . 0.567 ' HE3' ' HB1' ' D' ' 130' ' ' ALA . 2.7 tttm -52.93 -59.04 5.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.143 -178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.52 -50.42 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.117 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.553 ' HB3' ' HB3' ' B' ' 118' ' ' ASN . 11.3 t80 -56.01 -51.19 68.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -39.64 60.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 123' ' ' ASN . . . . . 0.461 ' O ' HG13 ' B' ' 127' ' ' ILE . 4.0 m-20 -67.37 -46.89 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.639 ' HB2' ' NE2' ' C' ' 54' ' ' GLN . . . -56.58 -48.97 76.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.669 ' CG ' HD12 ' B' ' 86' ' ' ILE . 13.2 t80 -60.72 -36.76 79.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.055 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -38.98 91.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.542 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.67 HG22 HD12 ' B' ' 131' ' ' ILE . 6.8 mt -64.7 -49.3 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.996 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.605 ' O ' ' HB ' ' B' ' 132' ' ' THR . 18.2 t60 -67.34 -30.61 70.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.181 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.894 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.4 t30 -64.27 -60.83 2.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.06 -52.1 46.31 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.677 HG21 HG21 ' A' ' 57' ' ' ILE . 50.2 mt -53.59 -36.8 29.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.524 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.605 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.9 OUTLIER -61.64 -52.42 64.44 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.807 0.813 . . . . 0.0 108.823 178.062 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.894 HG23 ' O ' ' B' ' 129' ' ' ASN . 15.5 t -54.53 -47.89 70.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.449 -1.251 . . . . 0.0 110.648 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -63.81 -32.6 74.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.534 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 29.7 ttm -57.84 -56.79 17.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.814 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.97 -179.923 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.794 0.33 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.587 ' O ' HG23 ' C' ' 12' ' ' VAL . 1.6 mm-40 -68.05 -49.05 63.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 5.4 ttpt -58.76 -44.31 90.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.713 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.7 tpt -61.23 -39.25 89.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.995 0.426 . . . . 0.0 109.864 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.555 ' O ' HG23 ' C' ' 15' ' ' VAL . 33.2 tp60 -72.41 -32.77 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.528 178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.602 HG22 HD23 ' B' ' 111' ' ' LEU . 21.8 t -62.45 -55.11 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.467 179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.886 ' HA ' HD12 ' C' ' 16' ' ' LEU . 16.5 mt -57.95 -44.44 86.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.929 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -28.38 68.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.643 178.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.833 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.2 t -72.93 -40.51 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.833 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.886 HD12 ' HA ' ' C' ' 13' ' ' LEU . 6.1 mt -62.23 -40.0 94.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.37 -43.37 73.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.776 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -54.4 39.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.545 HD12 HD11 ' B' ' 112' ' ' LEU . 79.5 mt -52.26 -53.92 37.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 110.571 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.717 ' CA ' HD12 ' C' ' 35' ' ' LEU . 3.2 tpt85 -49.91 -41.69 46.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.667 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.3 -48.42 83.7 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.029 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.595 ' CB ' HD22 ' B' ' 100' ' ' LEU . 6.3 mmtp -57.01 -38.53 73.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.017 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 1.002 HD23 HD21 ' B' ' 100' ' ' LEU . 23.6 mt -64.41 -50.53 67.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.781 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -26.81 62.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.413 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.43 -33.24 28.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.616 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.413 ' HD2' ' O ' ' C' ' 22' ' ' LYS . 6.5 mptt -81.81 -32.44 31.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.418 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.39 12.94 7.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.659 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 2.9 m-20 -103.87 79.66 1.67 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 110.097 179.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.23 17.23 8.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.15 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 51.6 m -87.31 -51.28 6.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.494 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -72.21 -24.74 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.604 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -46.75 -47.6 20.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.018 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.86 -32.47 65.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.98 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -70.18 -39.33 75.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.114 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.717 HD12 ' CA ' ' C' ' 20' ' ' ARG . 3.3 mt -65.63 -33.15 75.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.387 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.15 -33.95 56.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.909 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.733 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.47 -42.35 65.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.515 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.502 ' HD2' HD21 ' C' ' 16' ' ' LEU . 3.2 t80 -73.63 -38.94 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.549 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.766 ' HA ' HD13 ' C' ' 16' ' ' LEU . 28.4 t80 -66.06 -53.64 35.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.112 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.441 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 12.8 mt-10 -60.24 -45.34 93.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.895 HG22 ' CD2' ' C' ' 47' ' ' PHE . 87.8 m -56.41 -43.33 79.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.403 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.546 ' HB3' HD21 ' C' ' 13' ' ' LEU . 3.0 mt -59.19 -37.04 76.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.041 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.48 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.5 OUTLIER -73.99 -29.03 61.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.883 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.08 142.02 4.23 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.15 -46.31 1.11 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.44 2.093 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.592 HD21 HD13 ' A' ' 60' ' ' LEU . 3.2 mm? -57.91 -55.37 35.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.038 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.895 ' CD2' HG22 ' C' ' 41' ' ' THR . 1.9 t80 -54.87 -47.64 73.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.857 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.61 -33.54 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.416 ' HB3' HD11 ' A' ' 53' ' ' LEU . 9.2 tt0 -70.47 -37.78 74.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.576 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.769 HG12 HD21 ' A' ' 53' ' ' LEU . 31.5 mt -64.68 -42.54 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.012 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.788 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -68.38 -37.89 80.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.862 0.363 . . . . 0.0 110.17 179.634 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 62.8 m -53.95 -49.01 69.68 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.786 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -59.19 -43.29 92.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.461 178.412 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.639 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -62.43 -33.2 74.33 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.63 178.71 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.16 -40.7 94.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.801 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 14.4 t -60.85 -50.55 72.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.863 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.892 HG21 HG21 ' D' ' 131' ' ' ILE . 49.7 mt -59.91 -35.85 63.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.931 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -40.07 87.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.205 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -39.32 92.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.125 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' C' ' 57' ' ' ILE . 2.3 mt -55.99 -47.23 78.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.607 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 61' ' ' LYS . . . . . 0.592 ' HE3' HG23 ' D' ' 131' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.867 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.718 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.207 0 CA-C-O 121.327 0.584 . . . . 0.0 111.436 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 0.971 HD13 ' HB3' ' A' ' 37' ' ' ALA . 2.6 tp 179.64 53.39 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.163 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 85' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' D' ' 84' ' ' LEU . 0.6 OUTLIER -34.39 121.05 0.48 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.476 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.938 HG12 HG13 ' D' ' 116' ' ' VAL . 0.7 OUTLIER -48.91 -28.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.356 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.33 -50.37 74.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.191 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -37.11 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.279 0.561 . . . . 0.0 109.646 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.855 HD23 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -66.8 -29.3 69.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.224 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -69.46 -50.02 49.51 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.204 0.526 . . . . 0.0 109.601 178.756 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 91.1 p -58.65 -31.22 67.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.028 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 92' ' ' SER . . . . . 0.543 ' C ' HD12 ' D' ' 96' ' ' ILE . 0.3 OUTLIER -63.82 -52.43 60.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.452 179.523 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.732 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -61.65 -40.58 95.42 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.328 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 94' ' ' LYS . . . . . 0.428 ' HE2' HD22 ' D' ' 113' ' ' LEU . 33.5 mmtt -59.81 -38.73 82.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.497 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 95' ' ' HIS . . . . . 0.4 ' CD2' ' CD ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -72.2 -48.74 40.83 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.335 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.716 HG23 HD21 ' A' ' 23' ' ' LEU . 14.1 mt -54.6 -44.49 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.522 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.915 ' HA ' HD13 ' D' ' 109' ' ' ILE . 14.7 pt20 -61.76 -44.57 96.63 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.654 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 98' ' ' HIS . . . . . 0.411 ' N ' ' HG3' ' D' ' 97' ' ' GLN . 1.0 OUTLIER -84.31 -0.88 54.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.919 0.39 . . . . 0.0 110.564 179.162 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 99' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.3 m -101.44 -33.93 9.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.401 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 1.096 HD12 HD11 ' D' ' 109' ' ' ILE . 75.7 mt -87.67 -50.81 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.466 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.35 41.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.503 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 102' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.5 OUTLIER -103.92 21.3 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.628 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.38 -73.27 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.555 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 104' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -58.76 -29.85 67.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.14 0.495 . . . . 0.0 109.811 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.83 ' O ' HD12 ' D' ' 109' ' ' ILE . 1.6 m -69.83 -42.25 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.364 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -31.38 72.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.092 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.6 -41.6 68.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.757 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.812 ' HB3' HG13 ' A' ' 15' ' ' VAL . 24.8 m-20 -70.58 -44.82 66.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 1.096 HD11 HD12 ' D' ' 100' ' ' LEU . 5.2 mt -59.64 -49.04 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.441 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.6 ' HA ' HD12 ' D' ' 113' ' ' LEU . 27.9 t -56.67 -33.81 66.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.067 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.646 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -59.26 -51.32 70.45 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.039 179.125 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.877 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.5 mt -61.7 -43.15 99.41 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.636 ' CD1' HG22 ' D' ' 109' ' ' ILE . 4.5 mt -55.87 -49.61 72.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.589 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 114' ' ' GLN . . . . . 0.421 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 6.7 mt-30 -61.32 -43.12 99.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.229 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.706 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.9 mp -61.08 -40.05 92.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.567 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.938 HG13 HG12 ' D' ' 86' ' ' ILE . 64.2 t -66.13 -53.85 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.407 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -65.15 -16.29 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.844 -179.484 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 118' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 1.0 OUTLIER -54.07 129.38 34.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.736 0.303 . . . . 0.0 110.698 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -58.63 7.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.584 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -44.7 88.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.485 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 19.1 t80 -60.14 -56.14 25.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.573 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 122' ' ' GLN . . . . . 0.559 ' NE2' HG21 ' D' ' 86' ' ' ILE . 0.2 OUTLIER -52.67 -31.88 39.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.435 179.54 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.451 ' HB3' HD13 ' B' ' 127' ' ' ILE . 14.6 m-20 -66.42 -49.83 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.768 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.653 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.867 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.45 ' CD1' HD12 ' D' ' 86' ' ' ILE . 4.5 t80 -59.82 -34.6 73.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.063 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -41.62 87.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.857 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 0.63 HD11 ' CD1' ' B' ' 127' ' ' ILE . 55.6 mt -61.3 -49.74 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.984 0.421 . . . . 0.0 110.876 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.7 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.6 t-80 -66.28 -45.54 80.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.162 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.902 ' O ' HG23 ' D' ' 133' ' ' VAL . 1.3 t30 -54.91 -60.19 3.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 130' ' ' ALA . . . . . 0.567 ' HB1' ' HE3' ' B' ' 119' ' ' LYS . . . -60.74 -52.15 66.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.892 HG21 HG21 ' C' ' 57' ' ' ILE . 82.2 mt -57.29 -42.7 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.322 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.718 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -62.08 -46.39 89.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.184 0.516 . . . . 0.0 109.879 179.218 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.902 HG23 ' O ' ' D' ' 129' ' ' ASN . 88.5 t -52.78 -51.19 38.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.651 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -30.72 71.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.303 179.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 22.3 ttm . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.987 179.858 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.587 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.4 mm-40 -60.45 -52.91 63.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -57.85 -43.53 85.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.572 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.3 mmt -61.46 -45.53 93.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.042 0.449 . . . . 0.0 109.878 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.658 ' O ' HG23 ' A' ' 15' ' ' VAL . 28.8 tp60 -66.19 -32.85 74.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.734 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 8' ' ' GLU . 12.7 t -59.94 -54.98 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.644 179.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.877 ' HA ' HD12 ' A' ' 16' ' ' LEU . 18.5 mt -56.73 -45.53 81.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -29.34 68.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.854 HG11 HD21 ' D' ' 112' ' ' LEU . 3.3 t -72.46 -36.11 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.622 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 13' ' ' LEU . 11.5 mt -64.16 -43.58 94.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.717 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.74 -48.27 79.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.855 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -54.91 41.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.432 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.715 HD22 HD12 ' D' ' 100' ' ' LEU . 91.6 mt -55.34 -54.64 41.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.52 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.624 ' N ' HD12 ' A' ' 35' ' ' LEU . 4.4 tmm_? -51.66 -37.24 49.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.929 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.64 -48.94 83.73 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.124 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.525 ' HB3' HD22 ' D' ' 100' ' ' LEU . 9.9 mttm -59.9 -41.12 90.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.57 0.224 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 31.6 mt -57.0 -50.38 72.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.162 0.505 . . . . 0.0 110.375 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -61.37 -26.5 67.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.129 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.75 -33.28 27.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.05 0.452 . . . . 0.0 110.548 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' D' ' 100' ' ' LEU . 0.0 OUTLIER -81.18 -33.26 33.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.436 -179.734 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.05 -12.35 9.21 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.521 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -76.43 79.17 3.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 109.934 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.568 HG22 HD21 ' A' ' 32' ' ' ASN . 0.3 OUTLIER -89.57 23.95 2.45 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.708 179.419 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.9 m -101.57 -48.44 4.33 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.435 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -75.08 -24.86 58.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.742 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.568 HD21 HG22 ' A' ' 29' ' ' THR . 33.8 p-10 -53.04 -43.98 67.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.683 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.11 -32.78 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.164 0.507 . . . . 0.0 110.056 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -66.7 -45.3 79.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.149 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 20' ' ' ARG . 2.0 mt -60.88 -31.03 70.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.447 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.0 m -77.19 -36.27 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.88 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.088 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -69.29 -42.42 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.279 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' HD2' HD21 ' A' ' 16' ' ' LEU . 46.0 t80 -71.41 -51.06 26.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.016 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.635 ' CA ' HD13 ' A' ' 16' ' ' LEU . 9.1 t80 -55.28 -54.24 46.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.471 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HA ' ' HG3' ' A' ' 43' ' ' LYS . 6.5 mm-40 -59.97 -52.6 64.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.099 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.3 m -54.75 -29.2 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.011 0.434 . . . . 0.0 110.255 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -69.78 -36.01 75.38 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.405 179.246 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.859 ' HE2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -68.57 -31.5 70.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.26 179.689 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -44.59 130.27 4.96 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.241 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.11 -39.55 7.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.524 2.15 . . . . 0.0 112.397 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.717 HD11 HD11 ' C' ' 57' ' ' ILE . 1.7 tp -62.13 -50.66 71.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.213 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CE1' HD21 ' A' ' 51' ' ' LEU . 10.7 t80 -57.7 -42.0 82.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -57.14 -40.59 77.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.319 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.517 ' NE2' HD12 ' C' ' 53' ' ' LEU . 0.0 OUTLIER -62.38 -40.21 95.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.229 179.476 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.795 HG12 HD21 ' C' ' 53' ' ' LEU . 3.9 mt -58.1 -46.58 88.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.732 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.607 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -63.98 -38.0 89.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.268 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.8 m -53.77 -51.54 63.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.458 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.03 -48.77 79.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.18 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.567 ' OE1' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -58.88 -34.59 71.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.563 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -40.29 96.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.288 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -41.78 99.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.858 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.782 HG21 HG21 ' B' ' 131' ' ' ILE . 1.7 mt -60.25 -41.24 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.151 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -59.16 -41.45 88.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.843 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.39 89.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.165 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.687 ' CD1' HD21 ' C' ' 46' ' ' LEU . 1.2 mt -57.47 -43.74 84.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.551 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -65.63 -29.91 70.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.183 -179.7 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.473 ' C ' HD13 ' B' ' 83' ' ' ILE . 1.5 mmtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.673 0.273 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.694 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.0 OUTLIER -99.64 -160.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 0.0 111.088 -179.684 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 1.022 HD13 ' HB3' ' C' ' 37' ' ' ALA . 27.5 tp -159.83 -33.95 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.284 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' B' ' 84' ' ' LEU . 0.3 OUTLIER 53.55 109.27 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.843 0.354 . . . . 0.0 111.014 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.976 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -52.03 -25.57 6.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.928 -179.365 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.68 -45.5 89.78 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.297 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -34.41 49.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.786 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.13 -30.45 65.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.37 179.317 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.564 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 15.4 t80 -72.19 -48.85 40.06 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.852 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -31.27 71.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.54 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 92' ' ' SER . . . . . 0.84 ' O ' HD12 ' B' ' 96' ' ' ILE . 4.6 t -62.4 -53.43 54.99 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.389 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.6 OUTLIER -56.14 -36.23 68.02 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.315 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 94' ' ' LYS . . . . . 0.447 ' HA ' ' HG2' ' B' ' 97' ' ' GLN . 22.4 mmtt -59.89 -38.95 83.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.834 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.415 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 2.2 t60 -72.25 -53.15 13.38 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.84 HD12 ' O ' ' B' ' 92' ' ' SER . 3.6 mt -54.48 -34.97 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.947 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.905 ' HA ' HD13 ' B' ' 109' ' ' ILE . 5.3 pt20 -70.11 -40.18 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.435 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.468 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -80.8 -21.02 41.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.302 179.039 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -85.06 -40.15 17.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.025 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.789 HD12 HD11 ' B' ' 109' ' ' ILE . 68.8 mt -95.07 88.22 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.97 35.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.5 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.19 13.69 18.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.858 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 69.42 -67.56 0.22 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.838 0.351 . . . . 0.0 111.327 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -56.07 -33.13 64.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.698 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.752 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.3 OUTLIER -68.54 -39.01 81.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.695 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.54 -34.12 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.269 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' B' ' 108' ' ' ASP . 0.0 OUTLIER -70.3 -39.79 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.51 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.781 ' HB3' HG13 ' C' ' 15' ' ' VAL . 18.7 m-20 -70.94 -44.29 66.44 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.905 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.9 mt -58.97 -49.14 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.662 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.606 ' HA ' HD12 ' B' ' 113' ' ' LEU . 26.7 t -55.27 -37.57 67.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.237 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.408 ' CD2' HG22 ' C' ' 12' ' ' VAL . 2.4 tt -57.02 -51.12 70.53 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.02 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.857 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.9 mt -61.37 -42.11 98.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.633 ' CD1' HG22 ' B' ' 109' ' ' ILE . 4.8 mt -57.05 -46.98 82.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.718 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 114' ' ' GLN . . . . . 0.404 ' HA ' ' CG ' ' B' ' 117' ' ' GLN . 4.5 mt-30 -60.82 -43.66 97.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.593 ' CD2' HG21 ' C' ' 12' ' ' VAL . 6.4 mp -61.13 -42.24 98.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.326 0.584 . . . . 0.0 109.485 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.976 HG13 HG12 ' B' ' 86' ' ' ILE . 72.0 t -63.28 -53.66 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.592 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' B' ' 113' ' ' LEU . 0.2 OUTLIER -64.64 -19.74 65.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.727 -179.238 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.471 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 36.2 t30 -56.31 146.04 25.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.776 0.322 . . . . 0.0 110.564 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -58.61 3.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.865 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.36 -50.39 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.959 0.409 . . . . 0.0 111.137 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 10.0 t80 -58.53 -43.95 89.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.517 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.9 -35.48 66.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.692 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 123' ' ' ASN . . . . . 0.47 ' O ' HG13 ' B' ' 127' ' ' ILE . 1.4 m-80 -68.04 -51.75 43.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.603 ' HA ' HG21 ' C' ' 50' ' ' ILE . . . -56.87 -39.66 74.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.07 0.462 . . . . 0.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.573 ' CG ' HD12 ' B' ' 86' ' ' ILE . 10.4 t80 -68.76 -39.42 80.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.428 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -43.73 74.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.223 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 1.03 ' CD1' HD11 ' D' ' 127' ' ' ILE . 60.4 mt -60.05 -50.01 81.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.693 ' O ' ' HB ' ' B' ' 132' ' ' THR . 26.8 t-80 -62.08 -46.73 87.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.003 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.93 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.9 m-80 -55.2 -60.71 3.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.976 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 130' ' ' ALA . . . . . 0.655 ' HB1' ' HE2' ' D' ' 119' ' ' LYS . . . -61.47 -52.16 65.67 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.782 HG21 HG21 ' A' ' 57' ' ' ILE . 42.8 mt -56.65 -42.04 75.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.179 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.694 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.5 OUTLIER -59.64 -42.83 93.64 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.93 HG23 ' O ' ' B' ' 129' ' ' ASN . 45.3 t -52.72 -50.0 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.393 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -63.5 -31.7 72.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.107 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.22 -42.19 85.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.599 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.89 179.833 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.88 0.371 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.802 ' O ' HG23 ' C' ' 12' ' ' VAL . 3.9 mt-10 -66.47 -45.0 81.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.413 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -59.16 -44.17 92.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.6 tpt -61.57 -49.27 77.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.017 0.437 . . . . 0.0 110.023 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.773 ' O ' HG23 ' C' ' 15' ' ' VAL . 27.1 tp60 -63.05 -33.62 75.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.698 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.802 HG23 ' O ' ' C' ' 8' ' ' GLU . 23.7 t -60.18 -55.51 23.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.586 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.784 ' HA ' HD12 ' C' ' 16' ' ' LEU . 14.2 mt -53.88 -43.88 69.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 110.361 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.7 -28.23 66.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.92 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.781 HG13 ' HB3' ' B' ' 108' ' ' ASP . 16.1 t -74.07 -39.1 50.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.091 179.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' C' ' 13' ' ' LEU . 7.9 mt -64.5 -41.44 96.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.925 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -69.33 -44.11 72.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.695 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -54.14 39.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.06 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.677 HD12 HD11 ' B' ' 112' ' ' LEU . 70.9 mt -53.86 -57.4 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 0.0 110.787 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.747 ' N ' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -55.57 -29.84 59.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.799 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.3 -45.95 88.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.816 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.441 ' HB3' HD22 ' B' ' 100' ' ' LEU . 2.5 mtpp -62.28 -38.34 88.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.731 0.301 . . . . 0.0 110.711 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.657 HD21 HG23 ' B' ' 96' ' ' ILE . 26.9 mt -60.8 -50.14 74.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.962 0.411 . . . . 0.0 110.357 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.419 ' HG3' ' ND2' ' C' ' 32' ' ' ASN . 0.0 OUTLIER -58.94 -29.31 67.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.894 179.091 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -82.45 -31.78 29.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.544 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.462 ' CE ' HD23 ' B' ' 100' ' ' LEU . 0.6 OUTLIER -81.38 -29.77 33.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.078 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.26 21.19 4.15 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.659 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -116.74 83.59 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.151 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.18 17.51 10.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.391 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 2.8 m -93.89 -46.73 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.416 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.583 ' HB3' HD11 ' B' ' 96' ' ' ILE . 19.2 mp0 -73.02 -22.3 60.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.774 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 32' ' ' ASN . . . . . 0.419 ' ND2' ' HG3' ' C' ' 24' ' ' GLN . 2.5 m-20 -56.71 -40.03 74.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -56.89 -32.8 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.114 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -73.35 -41.87 62.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.249 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.747 HD12 ' N ' ' C' ' 20' ' ' ARG . 1.3 mt -67.47 -33.26 74.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.415 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 17.7 m -75.5 -31.2 60.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.819 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 1.022 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -74.63 -49.33 21.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.357 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.711 ' CE1' HD11 ' C' ' 42' ' ' LEU . 2.1 t80 -63.37 -47.3 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.277 0.561 . . . . 0.0 110.035 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.668 ' HA ' HD13 ' C' ' 16' ' ' LEU . 47.9 t80 -56.63 -53.89 52.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.2 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.434 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 0.8 OUTLIER -62.71 -44.3 96.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.65 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.691 HG22 ' CD2' ' C' ' 47' ' ' PHE . 87.9 m -59.8 -34.39 72.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.527 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.711 HD11 ' CE1' ' C' ' 38' ' ' PHE . 3.6 mt -68.99 -34.36 75.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.059 0.457 . . . . 0.0 110.228 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.455 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 0.5 OUTLIER -74.89 -31.01 61.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.0 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -46.61 146.38 2.53 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.356 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.89 -45.65 2.01 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.578 2.185 . . . . 0.0 112.365 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.687 HD21 ' CD1' ' A' ' 60' ' ' LEU . 3.7 mm? -57.93 -55.34 36.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.819 ' CD1' HD21 ' C' ' 51' ' ' LEU . 8.5 t80 -52.66 -50.6 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -55.4 -34.1 64.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.294 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -67.89 -41.92 82.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.949 0.404 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.603 HG21 ' HA ' ' B' ' 124' ' ' ALA . 3.0 mt -63.0 -36.83 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.819 HD21 ' CD1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -69.67 -36.61 76.17 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.497 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -56.22 -47.74 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.795 HD21 HG12 ' A' ' 50' ' ' ILE . 1.2 tp -61.41 -44.24 97.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.69 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -35.33 76.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.88 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.77 -36.42 83.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.607 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 35.3 m -60.77 -52.18 66.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.701 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 1.04 HG21 HG21 ' D' ' 131' ' ' ILE . 52.6 mt -60.26 -35.77 64.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.796 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -35.26 74.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.613 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -39.98 82.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.839 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.6 mt -53.21 -52.33 59.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.559 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.066 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.564 ' N ' HD13 ' D' ' 83' ' ' ILE . 1.1 mm . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.948 0.404 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 1.088 HD13 ' HB3' ' A' ' 37' ' ' ALA . 54.8 tp -120.36 -40.29 2.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.997 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.51 104.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.839 HG12 HG13 ' D' ' 116' ' ' VAL . 0.7 OUTLIER -49.86 -27.01 3.16 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.375 -179.628 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -48.89 79.03 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.221 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -35.5 60.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.78 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.705 ' O ' HD12 ' D' ' 89' ' ' LEU . 0.1 OUTLIER -71.34 -28.37 64.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.45 179.455 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.532 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.9 t80 -72.51 -50.28 27.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.858 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 8.5 t -63.36 -27.99 69.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.43 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 92' ' ' SER . . . . . 0.433 ' C ' HD12 ' D' ' 96' ' ' ILE . 63.9 m -64.73 -52.48 56.85 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.731 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.694 HD21 HD12 ' D' ' 89' ' ' LEU . 0.8 OUTLIER -57.22 -37.92 72.98 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -59.44 -38.08 79.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.378 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 95' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.8 t60 -69.79 -54.42 13.72 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' D' ' 93' ' ' LEU . 7.0 mt -51.02 -39.8 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.923 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.815 ' HA ' HD13 ' D' ' 109' ' ' ILE . 2.3 tt0 -62.81 -47.7 82.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.11 -16.03 57.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.579 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 99' ' ' THR . . . . . 0.449 HG22 HD23 ' D' ' 100' ' ' LEU . 1.2 m -87.26 -34.85 18.79 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.506 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.715 HD12 HD22 ' A' ' 19' ' ' LEU . 13.7 mt -90.11 -57.16 2.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.167 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.0 33.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.556 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.15 25.2 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.61 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t 66.74 -71.8 0.09 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.597 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -27.92 68.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.758 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.8 OUTLIER -72.55 -47.28 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.859 179.411 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -64.46 -30.42 71.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.754 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -39.62 63.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.076 0.465 . . . . 0.0 110.048 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.748 ' HB3' HG13 ' A' ' 15' ' ' VAL . 43.8 m-20 -70.85 -42.88 69.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.815 HD13 ' HA ' ' D' ' 97' ' ' GLN . 6.4 mt -62.31 -49.09 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.587 178.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.631 ' HA ' HD12 ' D' ' 113' ' ' LEU . 33.3 m -54.81 -37.23 65.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.208 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.49 HD23 HD23 ' D' ' 112' ' ' LEU . 6.2 tt -61.0 -45.22 95.71 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.854 HD21 HG11 ' A' ' 15' ' ' VAL . 4.2 mt -63.57 -41.19 98.4 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' D' ' 110' ' ' SER . 3.0 mt -60.43 -43.24 96.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.448 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 114' ' ' GLN . . . . . 0.571 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -61.95 -37.24 83.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.38 179.722 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.571 ' N ' ' HG3' ' D' ' 114' ' ' GLN . 4.0 mp -70.53 -50.17 40.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.74 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.839 HG13 HG12 ' D' ' 86' ' ' ILE . 47.3 t -61.08 -37.34 77.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.588 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 15.5 mt-30 -81.93 -20.35 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.645 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -51.59 146.53 7.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.642 0.258 . . . . 0.0 110.652 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 119' ' ' LYS . . . . . 0.655 ' HE2' ' HB1' ' B' ' 130' ' ' ALA . 0.0 OUTLIER -71.25 -58.76 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.395 -179.436 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 120' ' ' ASP . . . . . 0.404 ' HB3' ' CG ' ' A' ' 54' ' ' GLN . 2.1 m-20 -59.93 -46.07 90.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 111.122 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.5 t80 -56.07 -56.31 22.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 122' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 3.1 tt0 -52.98 -35.05 58.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.716 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.459 ' HB3' HG12 ' B' ' 127' ' ' ILE . 4.4 m-20 -59.7 -51.34 70.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.567 ' HB2' ' OE1' ' A' ' 54' ' ' GLN . . . -59.61 -49.17 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.695 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.592 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 2.8 t80 -56.86 -36.68 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.703 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 126' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 22.6 mmtt -62.76 -40.81 98.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.221 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 1.03 HD11 ' CD1' ' B' ' 127' ' ' ILE . 53.3 mt -58.92 -50.05 80.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.436 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.573 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.2 t-80 -69.54 -32.0 70.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.793 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.929 ' O ' HG23 ' D' ' 133' ' ' VAL . 1.8 m-20 -64.61 -60.88 2.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.681 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.09 -49.94 58.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.907 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 1.04 HG21 HG21 ' C' ' 57' ' ' ILE . 39.0 mt -53.49 -39.26 36.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.634 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.573 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.15 -52.53 63.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.231 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.929 HG23 ' O ' ' D' ' 129' ' ' ASN . 16.4 t -54.03 -44.75 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.774 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -63.22 -32.46 73.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.125 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 19.9 ttm . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.442 179.575 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.84 0.352 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.6 mm-40 -64.01 -30.73 71.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -61.66 -48.45 80.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.905 0.383 . . . . 0.0 110.244 179.598 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -38.35 87.99 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.596 ' NE2' HD13 ' D' ' 111' ' ' LEU . 7.7 tm0? -68.56 -32.49 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.644 178.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.619 HG21 HD22 ' D' ' 115' ' ' LEU . 2.7 t -61.76 -51.58 71.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.221 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.837 ' HA ' HD12 ' A' ' 16' ' ' LEU . 15.0 mt -59.29 -40.05 84.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.836 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -28.14 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.615 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.795 HG11 HD21 ' D' ' 112' ' ' LEU . 3.5 t -74.42 -38.44 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.012 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 13' ' ' LEU . 11.6 mt -64.24 -38.88 92.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -72.33 -38.66 68.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.742 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -70.16 -54.2 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.591 HD12 HD11 ' D' ' 112' ' ' LEU . 84.7 mt -53.61 -53.49 51.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.997 0.427 . . . . 0.0 110.408 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.703 ' N ' HD12 ' A' ' 35' ' ' LEU . 4.7 tmm_? -53.11 -43.85 67.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.068 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.24 -42.85 93.63 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.345 -0.931 . . . . 0.0 111.864 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' LYS . 3.5 mttm -61.79 -42.15 98.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.595 0.236 . . . . 0.0 110.738 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.564 HD11 HG12 ' D' ' 96' ' ' ILE . 35.1 mt -58.6 -50.57 73.34 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 110.737 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -32.76 64.21 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -83.14 -26.13 31.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.626 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LYS . 7.9 mttt -82.31 -31.06 30.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.203 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.26 12.45 10.87 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.253 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -107.56 83.94 1.89 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.84 29.82 2.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.0 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -105.46 -51.94 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.509 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -73.71 -23.2 59.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.457 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 4.0 p-10 -49.8 -38.77 35.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.945 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.32 -32.59 72.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.095 0.474 . . . . 0.0 110.027 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -42.89 74.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.347 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.703 HD12 ' N ' ' A' ' 20' ' ' ARG . 1.3 mt -63.58 -30.73 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.494 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.7 p -77.4 -38.69 49.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.01 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.797 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.52 -39.95 73.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.456 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.45 ' CA ' HD22 ' D' ' 84' ' ' LEU . 2.3 t80 -73.84 -34.04 64.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.34 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.636 ' HA ' HD13 ' A' ' 16' ' ' LEU . 55.8 t80 -69.71 -53.07 20.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.6 -50.13 75.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.044 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.516 HG22 ' CD2' ' A' ' 47' ' ' PHE . 74.3 m -55.4 -45.49 76.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.705 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -58.93 -35.7 73.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.08 0.467 . . . . 0.0 110.391 179.413 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG3' HD13 ' A' ' 13' ' ' LEU . 15.7 mtpt -76.32 -32.86 58.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.461 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 t -44.51 135.84 4.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.331 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.64 -41.34 15.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.47 2.113 . . . . 0.0 112.22 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.697 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.3 OUTLIER -62.13 -52.67 62.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.233 179.639 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.896 ' CE1' HD21 ' A' ' 51' ' ' LEU . 19.3 t80 -57.53 -44.95 85.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.514 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -39.13 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.743 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -62.7 -42.24 99.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.444 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.834 HG12 HD21 ' C' ' 53' ' ' LEU . 34.8 mt -58.54 -45.08 90.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.896 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -69.59 -34.86 74.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.514 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.2 m -53.91 -50.91 65.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.972 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.869 HD21 HG12 ' C' ' 50' ' ' ILE . 0.5 OUTLIER -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.809 178.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -31.44 70.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.324 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -39.96 86.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.212 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -60.81 -45.46 94.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.931 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.79 HG21 HG21 ' B' ' 131' ' ' ILE . 7.0 mt -60.79 -37.18 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.277 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -39.56 86.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.904 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -40.25 96.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.115 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -55.58 -47.54 76.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.523 179.361 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.432 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 9.6 mtmt -59.07 -52.86 63.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.528 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.834 0.349 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.58 ' N ' HD13 ' B' ' 83' ' ' ILE . 0.1 OUTLIER -99.42 -159.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 111.101 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.86 HD13 ' HB3' ' C' ' 37' ' ' ALA . 7.8 tp -173.62 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.495 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.81 115.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.904 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -56.98 -26.59 24.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.451 -179.856 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.26 -48.01 79.97 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.477 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -34.61 55.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 109.809 178.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.791 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.34 -29.91 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.553 179.549 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.55 -48.03 43.44 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 22.5 p -62.57 -30.1 71.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.567 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' SER . . . . . 0.828 ' O ' HD12 ' B' ' 96' ' ' ILE . 1.3 m -63.97 -53.26 52.93 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.417 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.735 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.6 OUTLIER -56.35 -36.3 68.62 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.325 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -58.97 -43.55 91.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.671 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -67.36 -55.98 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.828 HD12 ' O ' ' B' ' 92' ' ' SER . 4.1 mt -50.93 -33.75 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.19 -0.913 . . . . 0.0 111.072 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.638 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -65.38 -48.92 71.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.973 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -77.28 -22.15 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.382 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.06 -33.86 26.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.976 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.661 HD12 HD11 ' B' ' 109' ' ' ILE . 95.4 mt -102.71 85.27 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.94 36.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.286 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -92.79 15.82 13.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.946 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' SER . . . . . 0.408 ' HA ' ' HG3' ' B' ' 106' ' ' GLN . 0.5 OUTLIER 68.35 -68.12 0.18 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.779 0.323 . . . . 0.0 111.269 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -36.56 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.048 0.452 . . . . 0.0 110.686 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.796 ' O ' HD12 ' B' ' 109' ' ' ILE . 50.4 m -67.59 -37.56 82.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 106' ' ' GLN . . . . . 0.408 ' HG3' ' HA ' ' B' ' 103' ' ' SER . 1.6 mt-30 -63.32 -36.08 82.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.093 0.473 . . . . 0.0 110.195 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.52 -40.46 80.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.516 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.785 ' CG ' HG22 ' C' ' 15' ' ' VAL . 37.4 m-20 -70.28 -43.39 70.55 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.796 HD12 ' O ' ' B' ' 105' ' ' SER . 4.5 mt -59.28 -49.58 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.623 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.584 ' HA ' HD12 ' B' ' 113' ' ' LEU . 2.9 m -56.94 -34.12 67.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.865 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.652 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.91 -51.5 68.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.937 178.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.837 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.6 mt -63.53 -41.61 98.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.474 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.623 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.4 mt -57.77 -42.13 83.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.87 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.79 -49.5 76.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.936 0.398 . . . . 0.0 110.567 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.507 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.6 mp -61.79 -48.69 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.128 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.904 HG13 HG12 ' B' ' 86' ' ' ILE . 61.5 t -60.56 -37.27 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.587 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 30.8 mt-30 -85.79 -11.14 54.24 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.43 146.62 43.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.68 0.276 . . . . 0.0 110.508 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 119' ' ' LYS . . . . . 0.738 ' HD2' ' HB1' ' D' ' 130' ' ' ALA . 0.0 OUTLIER -70.36 -58.69 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.176 -179.569 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.06 -47.48 85.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.72 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.1 t80 -55.87 -54.16 48.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.4 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -50.29 -38.24 40.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.751 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.01 -47.62 85.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.654 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.826 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.36 -49.19 78.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.265 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.593 ' CD1' HD12 ' B' ' 86' ' ' ILE . 11.5 t80 -62.33 -37.45 85.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.255 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -63.94 -38.72 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.764 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 1.064 HD11 HD11 ' D' ' 127' ' ' ILE . 9.3 mt -63.72 -49.63 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.696 ' O ' ' HB ' ' B' ' 132' ' ' THR . 26.0 t-80 -67.92 -39.28 83.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.822 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.845 ' O ' HG23 ' B' ' 133' ' ' VAL . 2.0 t30 -55.32 -60.35 3.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.806 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.72 -51.52 48.31 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.79 HG21 HG21 ' A' ' 57' ' ' ILE . 70.5 mt -53.8 -43.73 57.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.528 0.204 . . . . 0.0 111.282 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.696 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.7 OUTLIER -60.14 -53.67 54.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.452 0.644 . . . . 0.0 109.536 178.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.845 HG23 ' O ' ' B' ' 129' ' ' ASN . 57.5 t -53.59 -48.09 59.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -31.59 72.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.362 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 11.3 ttm -59.11 -49.93 76.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.694 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.977 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.728 ' O ' HG23 ' C' ' 12' ' ' VAL . 13.0 mt-10 -64.57 -56.47 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.647 ' HE2' HD11 ' C' ' 13' ' ' LEU . 3.0 tmtt? -60.05 -43.41 95.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.601 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 5.1 mmt -61.41 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.852 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.496 ' NE2' HG23 ' C' ' 15' ' ' VAL . 32.2 tp60 -68.72 -34.09 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.627 178.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.728 HG23 ' O ' ' C' ' 8' ' ' GLU . 25.8 t -60.12 -56.35 18.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.718 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.679 ' HA ' HD12 ' C' ' 16' ' ' LEU . 17.2 mt -57.46 -41.7 81.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.099 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -28.5 67.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.444 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.785 HG22 ' CG ' ' B' ' 108' ' ' ASP . 2.2 t -73.69 -37.92 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.83 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' C' ' 13' ' ' LEU . 23.8 mt -64.17 -42.75 96.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.077 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -39.17 78.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mtp-105 -68.08 -48.0 66.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.767 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.717 HD12 HD11 ' B' ' 112' ' ' LEU . 33.9 mt -58.96 -57.53 12.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.649 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.755 ' HB3' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -56.74 -30.04 63.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.595 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.93 -47.15 86.0 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.6 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.411 ' HB3' ' CD2' ' B' ' 100' ' ' LEU . 0.5 OUTLIER -60.55 -38.51 84.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 110.265 179.467 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' C' ' 20' ' ' ARG . 33.2 mt -61.07 -50.11 74.6 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.505 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.453 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.1 OUTLIER -54.99 -32.13 61.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.798 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.6 -28.51 30.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.296 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.425 ' HE3' HD23 ' B' ' 100' ' ' LEU . 9.8 mttt -78.48 -33.05 48.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.055 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.41 13.5 8.87 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.326 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -112.57 85.43 2.16 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.027 0.441 . . . . 0.0 110.185 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.453 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -92.44 16.88 10.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.06 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m -88.1 -49.88 6.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.49 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.608 ' HB3' HD11 ' B' ' 96' ' ' ILE . 21.6 mp0 -74.51 -22.29 59.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -54.21 -44.9 72.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -56.94 -32.75 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.336 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -70.74 -44.65 66.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.35 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.755 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.6 mt -60.23 -30.84 69.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.426 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 4.3 t -77.17 -34.44 56.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.993 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.86 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -70.28 -44.28 68.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.429 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.546 ' CE2' HD11 ' C' ' 42' ' ' LEU . 61.6 t80 -70.64 -43.68 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.265 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.611 ' CA ' HD13 ' C' ' 16' ' ' LEU . 10.6 t80 -62.31 -53.57 53.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.093 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 40' ' ' GLU . . . . . 0.4 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 23.2 mm-40 -58.5 -50.62 73.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.884 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.447 HG22 ' CD2' ' C' ' 47' ' ' PHE . 63.7 m -57.09 -38.2 73.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.855 0.36 . . . . 0.0 110.413 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.628 ' HB3' HD21 ' C' ' 13' ' ' LEU . 0.2 OUTLIER -60.55 -35.57 76.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.149 0.5 . . . . 0.0 110.076 179.263 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.484 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -73.4 -30.49 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.089 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 15.1 m -46.37 135.98 7.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.37 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.04 -38.92 8.63 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.54 2.16 . . . . 0.0 111.984 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.691 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -63.84 -54.16 39.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.148 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.906 ' CE1' HD21 ' C' ' 51' ' ' LEU . 13.6 t80 -57.61 -45.71 85.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.319 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -57.22 -39.14 74.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.614 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -60.13 -43.45 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.317 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.869 HG12 HD21 ' A' ' 53' ' ' LEU . 11.3 mt -58.35 -45.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.638 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.906 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.56 -34.95 79.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.366 179.606 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -53.8 -52.64 59.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.064 0.459 . . . . 0.0 109.85 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.834 HD21 HG12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -59.73 -40.79 89.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.509 178.655 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.507 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 5.2 mm-40 -62.07 -36.29 81.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.247 179.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -62.45 -38.43 89.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.786 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.87 -47.64 85.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.707 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.834 HG21 HG21 ' D' ' 131' ' ' ILE . 6.2 mt -62.1 -36.38 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.225 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -59.28 -37.22 77.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.821 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -39.88 85.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.949 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.1 mt -53.21 -49.21 67.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.528 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.876 179.858 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.686 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 121.444 0.64 . . . . 0.0 111.783 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 0.797 HD13 ' HB3' ' A' ' 37' ' ' ALA . 8.7 tp -156.73 -34.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.793 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.76 111.77 0.01 OUTLIER 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.765 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.803 HG12 HG13 ' D' ' 116' ' ' VAL . 1.0 OUTLIER -53.82 -24.96 11.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.503 -179.59 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.38 -50.11 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.192 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -33.73 60.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.147 0.499 . . . . 0.0 109.739 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.751 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -72.13 -29.03 63.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.375 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.6 t80 -71.76 -49.57 37.85 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 5.6 m -61.64 -30.2 70.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.471 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -61.77 -53.1 60.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.273 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.8 OUTLIER -56.8 -37.88 71.78 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.482 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -37.18 78.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.475 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 95' ' ' HIS . . . . . 0.4 ' O ' ' HB ' ' D' ' 99' ' ' THR . 0.4 OUTLIER -71.26 -52.77 17.11 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.286 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' D' ' 93' ' ' LEU . 10.6 mt -53.05 -40.44 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.196 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.692 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -61.5 -53.55 54.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.223 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.44 -2.61 42.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.027 0.442 . . . . 0.0 110.477 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 99' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' D' ' 95' ' ' HIS . 1.5 m -98.5 -33.46 11.0 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.566 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.938 HD12 HD11 ' D' ' 109' ' ' ILE . 48.5 mt -91.13 -53.48 4.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.209 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.75 36.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.68 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -97.13 21.57 9.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.831 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 28.6 t 66.1 -71.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.924 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -34.06 72.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.177 0.513 . . . . 0.0 109.864 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.821 ' O ' HD12 ' D' ' 109' ' ' ILE . 87.9 p -67.98 -41.6 82.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.28 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.49 -32.41 72.43 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.002 0.43 . . . . 0.0 110.16 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -42.41 71.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.649 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.746 ' CG ' HG22 ' A' ' 15' ' ' VAL . 17.1 m-20 -70.64 -42.4 70.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.718 0.77 . . . . 0.0 108.977 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.938 HD11 HD12 ' D' ' 100' ' ' LEU . 5.1 mt -61.1 -49.24 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.589 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.658 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.2 m -57.67 -33.9 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.903 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.596 HD13 ' NE2' ' A' ' 11' ' ' GLN . 0.5 OUTLIER -58.13 -51.24 70.56 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.101 179.014 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.795 HD21 HG11 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -63.92 -38.27 90.45 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.799 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' D' ' 110' ' ' SER . 5.8 mt -60.88 -43.53 98.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.372 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.94 -52.67 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.619 HD22 HG21 ' A' ' 12' ' ' VAL . 1.8 pp -65.41 -35.66 81.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.35 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.803 HG13 HG12 ' D' ' 86' ' ' ILE . 19.8 t -65.48 -36.52 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 38.7 mt-30 -88.09 -12.81 43.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.847 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -51.56 139.07 21.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.643 0.259 . . . . 0.0 110.568 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -59.09 5.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.75 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -48.74 80.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 111.21 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.9 t80 -55.67 -51.6 66.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -53.03 -41.47 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.8 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.578 ' O ' HG13 ' D' ' 127' ' ' ILE . 0.5 OUTLIER -59.89 -51.83 68.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -179.766 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 50' ' ' ILE . . . -56.47 -49.18 75.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.677 ' CG ' HD12 ' D' ' 86' ' ' ILE . 9.5 t80 -55.99 -35.54 66.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -29.48 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 1.064 HD11 HD11 ' B' ' 127' ' ' ILE . 13.0 mt -66.4 -50.02 70.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.093 0.473 . . . . 0.0 110.551 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.639 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.2 t-80 -65.07 -44.78 87.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.836 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.84 ' O ' HG23 ' D' ' 133' ' ' VAL . 24.7 t-20 -55.51 -60.53 3.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.726 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 130' ' ' ALA . . . . . 0.738 ' HB1' ' HD2' ' B' ' 119' ' ' LYS . . . -59.09 -51.33 70.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.502 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.834 HG21 HG21 ' C' ' 57' ' ' ILE . 72.1 mt -57.28 -45.32 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.179 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.686 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -61.59 -48.33 81.42 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.182 0.515 . . . . 0.0 109.857 179.249 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.84 HG23 ' O ' ' D' ' 129' ' ' ASN . 85.0 t -55.52 -51.49 57.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.141 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -63.81 -30.77 71.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.988 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.9 ttm . . . . . 0 C--N 1.333 -0.147 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 179.713 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.8 0.333 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.768 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.3 mm-40 -64.79 -53.88 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 2.9 tmmm? -58.67 -41.81 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.596 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.8 tpt -61.3 -44.63 96.89 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.504 ' NE2' HG23 ' A' ' 15' ' ' VAL . 28.8 tp60 -66.53 -35.43 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.344 178.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 8' ' ' GLU . 55.1 t -59.97 -50.27 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.614 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.783 ' HA ' HD12 ' A' ' 16' ' ' LEU . 12.6 mt -57.64 -46.6 83.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.046 0.45 . . . . 0.0 109.932 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -28.34 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.76 178.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.813 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.3 t -73.13 -40.02 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.773 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 13' ' ' LEU . 10.8 mt -60.76 -42.09 96.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -41.31 71.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.657 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -63.57 -54.3 38.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.746 HD12 HD11 ' D' ' 112' ' ' LEU . 86.5 mt -52.98 -56.64 14.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.442 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.827 ' HA ' HD12 ' A' ' 23' ' ' LEU . 5.4 tmm_? -50.76 -36.47 36.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.885 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.12 -49.7 75.67 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.967 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.716 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.2 OUTLIER -61.36 -31.85 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 0.0 110.598 179.601 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.827 HD12 ' HA ' ' A' ' 20' ' ' ARG . 26.1 mt -68.4 -50.35 53.48 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.019 0.437 . . . . 0.0 110.42 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.475 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -58.45 -26.76 63.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.913 179.244 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.6 -31.66 28.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.464 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.759 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.5 OUTLIER -79.96 -33.15 39.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.257 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.64 19.16 5.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -116.06 81.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.145 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.475 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -91.55 13.15 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.186 179.659 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.4 m -78.64 -54.88 5.66 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.491 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.669 ' HB3' HD11 ' D' ' 96' ' ' ILE . 2.1 mp0 -67.17 -17.81 65.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.464 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.29 -52.85 15.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.75 -32.75 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.407 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -67.22 -40.08 86.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.161 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.706 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.2 mt -70.16 -32.12 69.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.602 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -34.46 55.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.956 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.846 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -73.08 -42.26 63.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.539 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.626 ' HD2' HD21 ' A' ' 16' ' ' LEU . 4.7 t80 -71.72 -37.43 70.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.233 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.672 ' HA ' HD13 ' A' ' 16' ' ' LEU . 17.8 t80 -65.95 -53.12 43.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.823 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -58.6 -47.89 82.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.964 HG22 ' CD2' ' A' ' 47' ' ' PHE . 48.9 m -56.83 -48.7 77.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.415 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.497 ' CD1' HD11 ' A' ' 16' ' ' LEU . 5.7 mt -52.47 -38.94 60.52 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.214 0.531 . . . . 0.0 110.247 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 26.5 mtpt -77.93 -29.24 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.345 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.405 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -42.29 135.79 2.42 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.466 -179.674 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 29.5 Cg_exo -61.21 -53.34 2.54 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.472 2.114 . . . . 0.0 112.567 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.53 HD11 HG12 ' C' ' 57' ' ' ILE . 1.4 mm? -57.52 -55.7 31.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.582 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.964 ' CD2' HG22 ' A' ' 41' ' ' THR . 5.2 t80 -54.96 -48.82 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -55.61 -32.67 63.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.439 ' HB3' HD11 ' C' ' 53' ' ' LEU . 0.0 OUTLIER -69.67 -40.36 76.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.6 179.723 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.846 HG12 HD21 ' C' ' 53' ' ' LEU . 17.7 mt -64.27 -42.6 95.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.118 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.736 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -68.83 -36.55 78.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.887 0.375 . . . . 0.0 110.103 179.525 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -53.94 -52.4 60.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.835 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' C' ' 49' ' ' GLN . 0.4 OUTLIER -58.29 -45.67 87.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.819 178.83 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.69 ' OE1' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -61.08 -33.03 72.69 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.266 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.31 -39.45 94.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.104 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.661 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.552 HG21 HG21 ' B' ' 131' ' ' ILE . 1.9 mt -60.3 -40.48 83.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.308 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -58.91 -44.34 91.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.229 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.25 -39.83 84.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.345 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.608 HD13 HD21 ' C' ' 46' ' ' LEU . 1.5 mt -59.93 -41.77 92.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.688 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -50.67 71.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.646 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.772 0.32 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.585 ' N ' HD13 ' B' ' 83' ' ' ILE . 0.8 OUTLIER -79.38 -160.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.559 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.906 HD13 ' HB3' ' C' ' 37' ' ' ALA . 26.7 tp -168.26 -36.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.313 . . . . 0.0 111.102 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 57.59 108.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.52 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.851 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -50.82 -25.05 2.97 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.854 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.86 -47.51 80.42 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.333 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -77.34 -34.32 55.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 0.0 109.832 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.22 -30.54 65.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.542 179.512 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.531 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.9 t80 -72.23 -48.51 42.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.751 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -28.91 70.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.516 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' SER . . . . . 0.794 ' C ' HD12 ' B' ' 96' ' ' ILE . 4.9 t -64.51 -53.54 46.42 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.533 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.734 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.4 OUTLIER -58.04 -33.9 69.5 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -59.3 -44.9 92.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.697 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.461 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.8 t60 -68.21 -54.13 19.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 96' ' ' ILE . . . . . 0.794 HD12 ' C ' ' B' ' 92' ' ' SER . 4.9 mt -50.72 -34.33 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.937 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.658 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -64.0 -46.59 83.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.66 179.583 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -80.46 -20.07 44.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.366 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 2.0 m -84.26 -33.18 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.715 HD23 ' HE2' ' C' ' 26' ' ' LYS . 42.4 mt -112.09 76.01 0.95 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -94.46 36.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.161 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.85 16.28 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.999 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m 74.47 -68.47 0.21 Allowed 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -29.7 69.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.128 0.49 . . . . 0.0 109.942 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.756 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -72.2 -47.68 48.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.776 179.531 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -62.37 -30.09 70.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.761 0.315 . . . . 0.0 110.572 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.72 -41.02 65.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.459 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' ASP . . . . . 0.739 ' CG ' HG22 ' C' ' 15' ' ' VAL . 35.9 m-20 -70.45 -42.68 71.16 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.756 HD12 ' O ' ' B' ' 105' ' ' SER . 5.3 mt -59.72 -49.29 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.491 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 110' ' ' SER . . . . . 0.55 ' HA ' HD12 ' B' ' 113' ' ' LEU . 2.3 m -55.57 -35.53 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.817 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.605 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.62 -51.34 69.07 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.84 178.779 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.867 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.4 mt -62.84 -42.52 99.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.3 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.646 ' CD1' HG22 ' B' ' 109' ' ' ILE . 4.7 mt -57.1 -41.13 78.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.815 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.75 -50.22 73.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.001 0.429 . . . . 0.0 110.428 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.537 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.3 mp -61.24 -49.75 75.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.137 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 112' ' ' LEU . 48.8 t -58.37 -27.55 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.429 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 117' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 35.8 mt-30 -98.43 -8.29 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.79 152.69 26.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.708 0.289 . . . . 0.0 110.523 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -59.33 2.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.078 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -43.05 99.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.799 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 121' ' ' PHE . . . . . 0.451 ' CE2' ' HB3' ' B' ' 115' ' ' LEU . 12.3 t80 -58.67 -56.01 27.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.58 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -52.26 -36.16 51.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.815 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' ASN . . . . . 0.435 ' HB3' ' CD1' ' D' ' 127' ' ' ILE . 4.1 m120 -62.11 -51.24 68.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.684 ' HB2' HE21 ' C' ' 54' ' ' GLN . . . -58.22 -47.96 81.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 125' ' ' PHE . . . . . 0.471 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 2.1 t80 -57.57 -41.31 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.597 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 126' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 1.2 mptp? -64.06 -37.21 86.59 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.81 0.338 . . . . 0.0 110.712 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.847 HD11 HD11 ' D' ' 127' ' ' ILE . 44.4 mt -69.11 -49.74 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.633 ' O ' ' HB ' ' B' ' 132' ' ' THR . 11.6 t-80 -68.41 -32.1 71.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.901 ' O ' HG23 ' B' ' 133' ' ' VAL . 35.9 t-20 -64.29 -60.81 2.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.79 -52.3 38.73 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 131' ' ' ILE . . . . . 0.552 HG21 HG21 ' A' ' 57' ' ' ILE . 56.0 mt -53.79 -36.1 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.415 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 132' ' ' THR . . . . . 0.633 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.8 OUTLIER -61.33 -52.09 66.11 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 177.848 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 133' ' ' VAL . . . . . 0.901 HG23 ' O ' ' B' ' 129' ' ' ASN . 14.5 t -52.89 -51.39 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.718 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -64.08 -32.16 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.518 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 33.3 ttm -54.75 -61.91 2.0 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 -179.873 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.93 0.395 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.844 ' O ' HG23 ' C' ' 12' ' ' VAL . 49.2 mt-10 -63.05 -53.37 54.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.636 ' HE2' HD11 ' C' ' 13' ' ' LEU . 5.3 tmtt? -56.71 -41.46 77.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.607 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 6.4 tpt -61.77 -48.21 81.68 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' GLN . . . . . 0.579 ' NE2' HG23 ' C' ' 15' ' ' VAL . 30.6 tp60 -64.78 -31.89 73.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.714 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.844 HG23 ' O ' ' C' ' 8' ' ' GLU . 54.3 t -60.71 -56.3 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.533 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.658 HD13 ' HE2' ' C' ' 43' ' ' LYS . 19.7 mt -54.37 -44.35 72.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.214 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -28.63 68.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.284 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 15' ' ' VAL . . . . . 0.803 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.1 t -74.0 -37.8 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.91 179.15 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.533 ' CD2' HD13 ' B' ' 112' ' ' LEU . 74.0 mt -64.44 -37.03 86.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.732 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.8 -41.16 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.83 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -66.03 -54.69 22.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' LEU . . . . . 0.567 HD12 HD11 ' B' ' 112' ' ' LEU . 90.4 mt -53.2 -52.54 58.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.141 0.496 . . . . 0.0 110.286 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 20' ' ' ARG . . . . . 0.499 ' HD3' ' HB2' ' C' ' 35' ' ' LEU . 0.1 OUTLIER -51.5 -44.24 62.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.746 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.62 -44.91 86.14 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.111 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.63 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.6 mttm -64.22 -33.48 75.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.518 0.199 . . . . 0.0 111.198 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' C' ' 31' ' ' GLN . 47.5 mt -66.66 -50.49 62.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.944 0.402 . . . . 0.0 110.499 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -26.31 67.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.004 179.084 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.38 -31.97 29.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.494 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' LYS . . . . . 0.715 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.7 OUTLIER -83.51 -36.49 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.431 -179.789 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.65 -19.41 6.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.943 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 97.8 m-20 -73.58 80.67 1.49 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.01 0.433 . . . . 0.0 110.113 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.23 14.94 9.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.882 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 55.3 m -87.33 -44.39 11.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.666 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.748 ' HB3' HD11 ' B' ' 96' ' ' ILE . 3.7 mm-40 -72.84 -25.04 60.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.577 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 32' ' ' ASN . . . . . 0.416 ' CB ' ' HD2' ' C' ' 20' ' ' ARG . 4.1 m120 -49.89 -41.44 45.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.892 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -59.7 -33.59 71.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.345 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.534 ' NZ ' HD12 ' B' ' 84' ' ' LEU . 16.9 mmmt -73.49 -41.85 62.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.344 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.577 ' N ' HD23 ' C' ' 35' ' ' LEU . 2.3 mt -66.8 -32.36 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.646 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -33.03 60.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.237 0.541 . . . . 0.0 109.896 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 37' ' ' ALA . . . . . 0.906 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -74.37 -47.08 36.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.217 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 38' ' ' PHE . . . . . 0.533 ' CE2' HD11 ' C' ' 42' ' ' LEU . 42.8 t80 -63.96 -49.73 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.176 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.466 ' CZ ' ' NZ ' ' C' ' 43' ' ' LYS . 85.2 t80 -54.13 -53.38 54.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.12 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.13 -48.31 79.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' THR . . . . . 0.5 HG23 ' CE1' ' B' ' 128' ' ' HIS . 84.8 m -56.03 -38.82 71.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.427 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' C' ' 38' ' ' PHE . 0.2 OUTLIER -60.94 -41.72 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.143 179.242 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 43' ' ' LYS . . . . . 0.658 ' HE2' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -69.39 -24.2 63.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.0 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 44' ' ' SER . . . . . 0.434 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 0.5 OUTLIER -45.59 133.99 6.19 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.478 -179.437 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 45' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 27.2 Cg_exo -61.12 -49.13 8.58 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.446 2.098 . . . . 0.0 111.887 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.608 HD21 HD13 ' A' ' 60' ' ' LEU . 3.4 mm? -57.71 -54.7 43.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 47' ' ' PHE . . . . . 0.831 ' CE1' HD21 ' C' ' 51' ' ' LEU . 3.4 t80 -51.06 -51.14 56.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -55.9 -36.59 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.304 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 49' ' ' GLN . . . . . 0.55 ' HB3' HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -65.37 -40.41 93.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.968 -179.833 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 50' ' ' ILE . . . . . 0.443 HG12 HD21 ' A' ' 53' ' ' LEU . 1.3 mt -63.98 -41.07 91.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.831 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.4 OUTLIER -68.77 -37.92 79.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.379 . . . . 0.0 110.17 179.526 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 93.8 m -53.91 -50.7 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.801 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.846 HD21 HG12 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -57.9 -51.15 70.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.977 178.857 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 54' ' ' GLN . . . . . 0.684 HE21 ' HB2' ' B' ' 124' ' ' ALA . 3.4 mm-40 -59.68 -31.35 69.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.444 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -41.2 98.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.989 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 74.9 m -63.25 -41.76 99.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.622 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.689 HG21 HG21 ' D' ' 131' ' ' ILE . 3.3 mt -61.31 -43.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.239 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -40.75 74.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.184 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.88 -41.49 97.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.284 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 60' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -55.89 -45.99 78.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 179.563 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 61' ' ' LYS . . . . . 0.742 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 3.3 mttt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 83' ' ' ILE . . . . . 0.572 HG21 ' CG ' ' D' ' 129' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.571 0.224 . . . . 0.0 110.79 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 84' ' ' LEU . . . . . 0.846 HD13 ' HB3' ' A' ' 37' ' ' ALA . 12.2 tp -168.13 -32.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.364 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 59.36 112.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.783 0.325 . . . . 0.0 110.683 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 86' ' ' ILE . . . . . 0.912 HG12 HG13 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -57.13 -25.42 22.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.527 -179.609 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.21 -46.82 82.22 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.187 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -35.95 55.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.152 0.501 . . . . 0.0 109.821 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 89' ' ' LEU . . . . . 0.747 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -71.99 -30.52 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.58 179.659 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 90' ' ' PHE . . . . . 0.508 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 13.6 t80 -72.48 -46.07 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -62.78 -31.61 72.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.572 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 92' ' ' SER . . . . . 0.798 ' C ' HD12 ' D' ' 96' ' ' ILE . 45.1 m -63.44 -53.02 58.81 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.578 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 93' ' ' LEU . . . . . 0.727 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -56.35 -35.83 68.1 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.446 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 94' ' ' LYS . . . . . 0.43 ' HE3' ' CZ ' ' D' ' 90' ' ' PHE . 26.9 mmtp -58.97 -45.19 91.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.715 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 95' ' ' HIS . . . . . 0.418 ' CD2' ' OE1' ' A' ' 31' ' ' GLN . 2.1 t60 -66.85 -55.5 14.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 96' ' ' ILE . . . . . 0.798 HD12 ' C ' ' D' ' 92' ' ' SER . 4.6 mt -50.9 -33.91 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.061 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 97' ' ' GLN . . . . . 0.567 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -64.41 -52.03 60.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.715 179.62 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -74.4 -21.51 59.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.392 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -82.22 -36.55 27.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.919 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 100' ' ' LEU . . . . . 0.759 HD23 ' HE2' ' A' ' 26' ' ' LYS . 25.2 mt -107.82 77.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.29 37.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.638 -1.165 . . . . 0.0 111.095 -178.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.4 21.14 3.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.866 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 103' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' D' ' 106' ' ' GLN . 0.5 OUTLIER 68.56 -68.61 0.17 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.066 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -59.59 -30.17 68.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.149 0.499 . . . . 0.0 110.02 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 105' ' ' SER . . . . . 0.822 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.4 OUTLIER -71.99 -48.56 43.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.611 179.578 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 106' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' D' ' 103' ' ' SER . 4.3 pt20 -61.49 -29.91 70.28 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 110.296 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.82 -42.14 70.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.596 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 108' ' ' ASP . . . . . 0.716 ' CG ' HG22 ' A' ' 15' ' ' VAL . 21.4 m-20 -70.38 -42.19 72.09 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 109' ' ' ILE . . . . . 0.822 HD12 ' O ' ' D' ' 105' ' ' SER . 3.8 mt -60.25 -49.26 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.36 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 110' ' ' SER . . . . . 0.601 ' HA ' HD12 ' D' ' 113' ' ' LEU . 0.9 OUTLIER -56.25 -33.92 65.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.572 179.08 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 111' ' ' LEU . . . . . 0.699 HD23 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -57.01 -51.26 69.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.707 178.697 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 112' ' ' LEU . . . . . 0.816 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.4 mt -63.32 -41.77 98.95 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.477 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 113' ' ' LEU . . . . . 0.626 ' CD1' HG22 ' D' ' 109' ' ' ILE . 4.6 mt -58.76 -40.12 83.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.641 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.46 -50.46 72.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 0.0 110.366 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 115' ' ' LEU . . . . . 0.537 ' CD2' HG21 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -62.31 -50.49 71.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.839 179.076 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 116' ' ' VAL . . . . . 0.912 HG13 HG12 ' D' ' 86' ' ' ILE . 58.4 t -58.28 -36.07 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.376 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 117' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 41.1 mt-30 -89.01 -8.73 53.5 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 118' ' ' ASN . . . . . 0.403 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.4 OUTLIER -60.6 134.53 57.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.734 0.302 . . . . 0.0 110.393 179.554 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -59.11 5.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.441 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 120' ' ' ASP . . . . . 0.428 ' HB2' ' HG2' ' A' ' 54' ' ' GLN . 1.1 p30 -62.07 -45.72 92.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.152 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 121' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.6 t80 -57.39 -49.86 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.471 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 122' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 5.9 mt-30 -52.38 -46.02 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.979 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 123' ' ' ASN . . . . . 0.49 ' O ' HG13 ' D' ' 127' ' ' ILE . 7.6 m120 -59.76 -47.19 86.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 124' ' ' ALA . . . . . 0.69 ' HB2' ' OE1' ' A' ' 54' ' ' GLN . . . -56.42 -45.62 80.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.309 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 125' ' ' PHE . . . . . 0.625 ' CG ' HD12 ' D' ' 86' ' ' ILE . 22.1 t80 -59.66 -38.38 81.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 126' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 7.2 mmpt? -63.03 -40.2 97.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.368 . . . . 0.0 110.337 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 127' ' ' ILE . . . . . 0.847 HD11 HD11 ' B' ' 127' ' ' ILE . 4.6 mt -62.67 -49.8 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 128' ' ' HIS . . . . . 0.749 ' O ' ' HB ' ' D' ' 132' ' ' THR . 43.7 t60 -64.14 -38.54 91.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.768 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 129' ' ' ASN . . . . . 0.934 ' O ' HG23 ' D' ' 133' ' ' VAL . 43.9 t-20 -55.74 -60.87 2.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.62 -52.39 31.9 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 131' ' ' ILE . . . . . 0.832 HD12 HG22 ' D' ' 127' ' ' ILE . 57.9 mt -53.82 -37.13 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.78 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 132' ' ' THR . . . . . 0.749 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.77 -52.27 63.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.368 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 133' ' ' VAL . . . . . 0.934 HG23 ' O ' ' D' ' 129' ' ' ASN . 33.9 t -52.97 -43.93 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.861 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -63.43 -32.14 73.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.224 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.58 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.561 0.219 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.65 -58.02 1.0 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.459 2.106 . . . . 0.0 112.176 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.45 -28.21 58.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.367 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -45.0 95.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.656 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.1 mt-10 -68.07 -51.98 40.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.9 ttpp -59.66 -42.43 92.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.592 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.3 tpt -61.08 -42.7 98.99 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.514 ' NE2' HG23 ' A' ' 15' ' ' VAL . 30.9 tp60 -68.45 -34.61 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.452 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.702 HG22 HD23 ' D' ' 111' ' ' LEU . 35.4 t -60.15 -56.1 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.668 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.916 ' HA ' HD12 ' A' ' 16' ' ' LEU . 15.9 mt -56.35 -42.2 77.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.991 0.424 . . . . 0.0 110.083 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -28.39 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.685 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.806 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.1 t -73.58 -38.15 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.975 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 13' ' ' LEU . 7.6 mt -63.81 -42.63 97.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.743 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.75 -39.68 84.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.396 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -54.22 28.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.767 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.703 HD12 HD11 ' D' ' 112' ' ' LEU . 50.2 mt -53.37 -57.18 11.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.438 . . . . 0.0 110.597 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.695 ' CB ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -52.55 -35.53 53.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.94 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -45.47 96.5 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.944 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -62.47 -41.73 98.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.311 . . . . 0.0 110.84 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.797 HD21 HG23 ' D' ' 96' ' ' ILE . 23.8 mt -58.75 -50.59 73.37 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.038 0.447 . . . . 0.0 110.737 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.525 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -60.78 -28.4 68.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.117 179.311 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.42 -31.37 29.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.784 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.82 -30.94 26.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.261 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.26 22.48 3.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.627 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 46.2 m-20 -114.76 77.69 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.021 0.438 . . . . 0.0 110.31 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.525 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -93.25 36.17 1.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.814 179.553 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.7 m -105.25 -51.21 3.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.158 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.587 ' HB3' HD11 ' D' ' 96' ' ' ILE . 2.3 mp0 -69.99 -17.13 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.162 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -47.8 -42.95 27.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.468 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 2.1 pt-20 -56.82 -32.6 65.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.905 0.383 . . . . 0.0 110.658 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.691 ' HA ' HD21 ' D' ' 84' ' ' LEU . 38.7 mmtm -74.36 -41.47 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.453 . . . . 0.0 110.307 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.695 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.1 mt -70.63 -29.9 66.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.331 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.44 -35.84 53.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.124 0.487 . . . . 0.0 110.382 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.996 ' HB3' HD23 ' D' ' 84' ' ' LEU . . . -80.3 -42.74 22.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.977 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.474 ' CD2' HD21 ' A' ' 16' ' ' LEU . 36.8 t80 -63.09 -50.52 70.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.377 0.608 . . . . 0.0 109.792 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.655 ' CA ' HD13 ' A' ' 16' ' ' LEU . 7.7 t80 -59.51 -53.75 54.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.074 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' HA ' ' HG3' ' A' ' 43' ' ' LYS . 21.8 mm-40 -59.14 -52.23 66.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.99 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.62 HG22 ' CD2' ' A' ' 47' ' ' PHE . 95.0 m -56.01 -34.85 66.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.835 0.35 . . . . 0.0 110.342 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.662 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -63.4 -35.97 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.21 0.529 . . . . 0.0 109.994 178.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 39' ' ' TYR . 1.4 mtmt -72.39 -31.06 65.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.1 t -47.52 126.24 10.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.393 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.58 -29.95 78.74 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.417 2.078 . . . . 0.0 111.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.73 HD11 HD13 ' C' ' 57' ' ' ILE . 0.5 OUTLIER -70.02 -55.15 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.324 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.62 ' CD2' HG22 ' A' ' 41' ' ' THR . 9.7 t80 -58.5 -34.98 71.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.15 0.5 . . . . 0.0 110.006 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -50.69 68.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.167 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.644 ' HG3' HD11 ' C' ' 53' ' ' LEU . 3.3 pt20 -57.26 -33.81 67.98 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.502 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.59 HG12 HD21 ' C' ' 53' ' ' LEU . 1.4 mt -62.2 -52.23 62.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.781 0.324 . . . . 0.0 110.304 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.597 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -62.87 -32.98 74.34 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.222 179.389 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.8 m -53.99 -54.48 38.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.269 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.659 HD21 HG12 ' C' ' 50' ' ' ILE . 0.3 OUTLIER -59.24 -46.03 89.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.222 179.112 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.572 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.1 OUTLIER -58.75 -34.45 71.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.216 179.439 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.43 -38.01 88.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.202 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.9 t -61.1 -45.8 93.23 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.088 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.825 HG12 HD13 ' C' ' 46' ' ' LEU . 29.8 mt -59.49 -40.19 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.108 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' HA ' ' CG ' ' A' ' 61' ' ' LYS . 5.2 mmtt -61.32 -33.89 74.35 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.903 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -64.09 -39.25 93.65 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -59.44 -61.5 2.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.116 178.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.452 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 0.0 OUTLIER -56.04 -24.24 38.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.215 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.29 -31.58 13.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.859 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -87.9 -52.74 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 111.031 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.67 140.06 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.8 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.718 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 121.004 0.43 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.718 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -179.08 -66.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.022 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.21 118.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.945 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.618 HD11 HG22 ' B' ' 133' ' ' VAL . 0.2 OUTLIER -90.2 -159.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.619 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.8 ' CD2' HD22 ' B' ' 89' ' ' LEU . 12.1 tp -154.99 -37.34 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.74 107.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.962 HG12 HG13 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -53.11 -25.66 10.1 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.728 -179.193 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.88 -49.66 73.97 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.914 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -34.14 61.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.592 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.8 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.25 -28.97 64.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.465 179.439 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.1 t80 -71.83 -49.75 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 9.4 p -63.08 -26.92 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.521 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 12.1 t -65.24 -52.65 53.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.575 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.744 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -58.33 -38.96 78.19 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.981 0.419 . . . . 0.0 110.155 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -59.5 -40.21 86.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.795 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.412 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.4 t60 -69.49 -52.65 24.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' B' ' 93' ' ' LEU . 12.6 mt -50.8 -42.03 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.97 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.76 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -60.35 -50.94 71.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -80.35 -4.78 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.4 m -97.38 -32.18 12.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.405 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 1.055 HD12 HD11 ' B' ' 109' ' ' ILE . 63.5 mt -91.07 -53.73 4.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.14 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.0 38.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.695 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' B' ' 104' ' ' GLN . 9.2 m-20 -99.65 22.29 11.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.69 -72.52 0.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.693 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -59.14 -30.17 67.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.127 0.489 . . . . 0.0 109.855 179.285 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.861 ' O ' HD12 ' B' ' 109' ' ' ILE . 1.9 m -70.08 -42.48 72.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.551 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -34.69 76.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.959 0.409 . . . . 0.0 110.426 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.0 -41.44 74.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.701 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.77 ' HB3' HG13 ' C' ' 15' ' ' VAL . 25.9 m-20 -70.53 -43.23 70.0 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 1.055 HD11 HD12 ' B' ' 100' ' ' LEU . 4.5 mt -59.74 -49.04 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.392 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.605 ' HA ' HD12 ' B' ' 113' ' ' LEU . 8.3 t -55.78 -36.31 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.966 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.795 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.4 -51.5 68.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.958 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.815 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.1 mt -62.67 -41.86 99.31 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.633 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.7 mt -57.4 -40.69 78.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.607 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -52.29 64.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.543 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.644 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.1 mp -60.07 -49.66 76.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.225 0.535 . . . . 0.0 110.077 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.962 HG13 HG12 ' B' ' 86' ' ' ILE . 96.0 t -55.11 -37.76 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.891 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 41.6 mt-30 -87.59 -11.9 47.24 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.11 127.68 33.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.722 0.296 . . . . 0.0 110.488 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' LYS . . . . . 0.643 ' CE ' ' HB1' ' D' ' 130' ' ' ALA . 0.0 OUTLIER -51.92 -58.71 5.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.563 -179.507 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ASP . . . . . 0.401 ' HB3' ' HG2' ' C' ' 54' ' ' GLN . 1.7 m-20 -59.59 -48.85 80.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 111.0 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.8 t80 -55.69 -54.57 42.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.615 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -51.75 -36.08 45.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.77 -49.73 75.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.851 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -56.99 -49.28 76.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.188 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.665 ' CD1' HD12 ' B' ' 86' ' ' ILE . 10.0 t80 -63.91 -39.04 93.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.272 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -39.38 90.43 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 110.401 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 1.105 HD11 HD11 ' D' ' 127' ' ' ILE . 6.5 mt -62.83 -49.64 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.563 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.653 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.2 t-80 -60.9 -44.54 96.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.189 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.662 ' O ' HG23 ' B' ' 133' ' ' VAL . 21.8 t-20 -55.33 -60.98 2.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.02 69.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.737 HD12 HG22 ' B' ' 127' ' ' ILE . 55.1 mt -56.7 -43.06 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.398 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.653 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -57.67 -45.35 85.7 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.409 0.623 . . . . 0.0 109.57 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 129' ' ' ASN . 90.6 t -54.88 -46.95 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.384 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -63.73 -31.63 72.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.202 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' MET . . . . . 0.451 ' HE3' ' HA ' ' B' ' 132' ' ' THR . 27.0 ttm -57.75 -55.02 40.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.737 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -74.83 -31.95 61.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.63 -75.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.946 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.36 117.85 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.907 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 t30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.767 0.317 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.48 -39.49 6.97 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.79 2.327 . . . . 0.0 111.941 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.68 -28.83 3.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.345 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.22 84.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.998 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.841 ' O ' HG23 ' C' ' 12' ' ' VAL . 7.9 mt-10 -67.24 -54.62 19.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.744 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 9.4 ttpt -55.97 -42.65 76.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -46.46 90.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.752 ' O ' HG23 ' C' ' 15' ' ' VAL . 26.4 tp60 -64.78 -34.34 78.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.841 HG23 ' O ' ' C' ' 8' ' ' GLU . 76.7 t -61.48 -50.03 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.846 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.865 ' HA ' HD12 ' C' ' 16' ' ' LEU . 13.8 mt -58.2 -44.93 88.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.402 . . . . 0.0 110.057 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -28.5 68.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.474 178.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.77 HG13 ' HB3' ' B' ' 108' ' ' ASP . 7.1 t -72.26 -37.98 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.823 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.865 HD12 ' HA ' ' C' ' 13' ' ' LEU . 10.5 mt -64.31 -40.92 96.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.838 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -71.07 -37.62 72.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.826 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -67.44 -54.53 19.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.667 HD12 HD11 ' B' ' 112' ' ' LEU . 96.0 mt -54.59 -53.25 57.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.617 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.758 ' N ' HD12 ' C' ' 35' ' ' LEU . 0.2 OUTLIER -55.02 -37.16 66.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.75 -44.4 97.01 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.906 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.502 ' HB3' HD22 ' B' ' 100' ' ' LEU . 6.4 mttm -63.64 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.626 0.25 . . . . 0.0 110.873 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.506 HD21 HG23 ' B' ' 96' ' ' ILE . 34.7 mt -61.64 -50.58 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 110.552 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -27.06 68.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.072 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.69 -32.48 28.06 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.54 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.02 -32.73 39.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.232 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.59 18.91 3.9 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.595 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -113.63 85.86 2.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.959 0.409 . . . . 0.0 110.201 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.714 HG22 ' ND2' ' C' ' 32' ' ' ASN . 0.3 OUTLIER -95.06 27.55 3.15 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.921 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -101.32 -54.99 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.465 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.412 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 2.9 mp0 -70.5 -22.31 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.607 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ASN . . . . . 0.714 ' ND2' HG22 ' C' ' 29' ' ' THR . 35.1 p-10 -51.69 -42.6 62.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.652 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.91 -32.63 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.946 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.401 ' HA ' ' CD1' ' B' ' 84' ' ' LEU . 1.3 mmmm -69.35 -43.12 74.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.22 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.758 HD12 ' N ' ' C' ' 20' ' ' ARG . 1.0 OUTLIER -64.55 -32.53 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.519 179.616 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -39.39 49.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.941 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.652 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -69.08 -38.87 79.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.312 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.487 ' CA ' HD22 ' B' ' 84' ' ' LEU . 2.8 t80 -74.8 -35.18 62.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.246 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.749 ' HA ' HD13 ' C' ' 16' ' ' LEU . 2.5 t80 -68.94 -51.36 40.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.846 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -52.08 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.436 HG22 ' CE2' ' C' ' 47' ' ' PHE . 94.3 m -55.9 -39.06 71.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.876 0.37 . . . . 0.0 110.431 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.58 ' HB3' HD21 ' C' ' 13' ' ' LEU . 0.3 OUTLIER -62.44 -34.93 77.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.164 179.305 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.459 ' CD ' ' CE1' ' C' ' 39' ' ' TYR . 23.9 mtpt -80.08 -28.31 39.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.888 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.14 136.41 1.67 Allowed Pre-proline 0 N--CA 1.465 0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.471 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.67 -61.33 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.602 2.202 . . . . 0.0 112.67 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.825 HD13 HG12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.46 -34.24 68.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.694 ' CE1' HD21 ' C' ' 51' ' ' LEU . 28.5 t80 -62.56 -46.66 87.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.092 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -56.54 -37.5 70.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.885 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.412 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 12.6 mt-30 -61.82 -41.0 97.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.171 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.659 HG12 HD21 ' A' ' 53' ' ' LEU . 2.1 mt -60.51 -42.66 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.508 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.694 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.6 OUTLIER -66.45 -42.81 87.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.371 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 13.0 m -55.73 -39.66 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.202 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.644 HD11 ' HG3' ' A' ' 49' ' ' GLN . 0.5 OUTLIER -62.82 -50.98 68.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.03 179.049 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.599 ' OE1' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -60.0 -34.56 73.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.113 179.243 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.86 -40.57 93.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.219 0.533 . . . . 0.0 109.921 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 11.9 t -61.4 -42.04 98.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.405 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.905 HG21 HG21 ' D' ' 131' ' ' ILE . 3.1 mt -61.45 -36.13 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.059 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -40.94 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.726 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.12 -37.32 87.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.181 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.3 mt -57.31 -48.14 79.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.703 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.4 ' HG3' ' HG3' ' D' ' 135' ' ' MET . 2.1 mtpt -68.11 -30.43 69.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.01 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.01 -24.81 47.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.787 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -91.95 -39.46 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.705 0.288 . . . . 0.0 110.948 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.74 130.8 48.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.983 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 80' ' ' ALA . . . . . 0.731 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.719 0.295 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 81' ' ' VAL . . . . . 0.731 HG13 ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER -170.23 33.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.093 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 82' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' D' ' 82' ' ' LYS . 0.0 OUTLIER -99.77 26.48 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.408 0.623 . . . . 0.0 110.651 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.954 HD11 HG22 ' D' ' 133' ' ' VAL . 0.4 OUTLIER 44.68 -162.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.055 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 0.996 HD23 ' HB3' ' A' ' 37' ' ' ALA . 2.7 tm? -153.59 -40.98 0.09 Allowed 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.54 104.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.664 0.269 . . . . 0.0 110.711 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 1.102 ' HA ' HD23 ' D' ' 89' ' ' LEU . 1.2 mp -64.44 -31.15 52.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -41.19 98.43 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.977 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -38.64 47.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.11 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 1.102 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.0 OUTLIER -72.13 -28.54 63.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.819 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.487 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.1 t80 -72.5 -47.74 46.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 85.3 p -63.79 -29.13 70.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.559 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 92' ' ' SER . . . . . 0.6 ' C ' HD12 ' D' ' 96' ' ' ILE . 8.1 m -64.38 -53.43 48.64 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.795 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.742 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.8 OUTLIER -57.89 -35.18 70.66 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.4 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -59.17 -41.32 88.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.483 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -69.06 -55.95 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.797 HG23 HD21 ' A' ' 23' ' ' LEU . 5.2 mt -51.41 -33.83 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.089 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.587 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.7 OUTLIER -64.13 -49.55 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.977 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -77.46 -22.24 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.053 0.454 . . . . 0.0 110.422 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.14 -33.52 26.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.071 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.702 HD12 HD11 ' D' ' 109' ' ' ILE . 86.1 mt -101.06 86.79 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.27 36.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.23 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.35 12.37 22.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.893 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 4.7 m 69.28 -67.6 0.21 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.855 0.359 . . . . 0.0 111.17 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -36.92 70.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.043 0.449 . . . . 0.0 110.461 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.824 ' O ' HD12 ' D' ' 109' ' ' ILE . 13.2 p -66.07 -38.23 87.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.587 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -61.79 -38.37 87.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.012 0.434 . . . . 0.0 110.192 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.61 -41.29 88.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.817 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.749 ' CG ' HG22 ' A' ' 15' ' ' VAL . 51.9 m-20 -70.03 -42.48 72.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.665 0.745 . . . . 0.0 109.142 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.824 HD12 ' O ' ' D' ' 105' ' ' SER . 3.8 mt -58.91 -49.5 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.461 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.612 ' HA ' HD12 ' D' ' 113' ' ' LEU . 0.7 OUTLIER -56.96 -34.28 67.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.905 179.342 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.702 HD23 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -56.86 -51.41 69.16 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.001 179.091 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.826 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.2 mt -64.34 -41.12 96.93 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' D' ' 110' ' ' SER . 6.0 mt -56.97 -42.27 79.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.669 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -63.68 -50.37 69.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.62 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.613 HD21 HG21 ' A' ' 12' ' ' VAL . 3.1 mp -59.59 -47.88 83.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.434 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.826 HG23 ' O ' ' D' ' 112' ' ' LEU . 60.2 t -59.35 -39.92 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.713 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 57.6 mt-30 -83.52 -11.45 57.41 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 118' ' ' ASN . . . . . 0.406 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.2 OUTLIER -58.89 127.9 34.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.783 0.325 . . . . 0.0 110.566 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -58.42 6.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.441 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -49.99 75.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.998 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.3 t80 -55.84 -50.37 70.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -38.68 64.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.55 ' O ' HG13 ' D' ' 127' ' ' ILE . 34.6 m-20 -64.39 -52.24 59.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 111.136 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.572 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -57.07 -48.99 77.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.223 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.58 ' CG ' HD11 ' D' ' 86' ' ' ILE . 1.7 t80 -55.33 -40.29 71.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -62.16 -36.3 81.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.162 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 1.105 HD11 HD11 ' B' ' 127' ' ' ILE . 9.7 mt -60.92 -49.57 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.578 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.599 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.7 t-80 -65.75 -29.02 69.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.095 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.816 ' O ' HG23 ' D' ' 133' ' ' VAL . 33.9 m-20 -65.6 -61.27 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 130' ' ' ALA . . . . . 0.643 ' HB1' ' CE ' ' B' ' 119' ' ' LYS . . . -65.89 -52.17 52.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.478 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.905 HG21 HG21 ' C' ' 57' ' ' ILE . 48.8 mt -53.74 -35.8 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 110.449 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.599 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -61.73 -48.74 79.34 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.607 0.718 . . . . 0.0 109.328 178.158 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.954 HG22 HD11 ' D' ' 83' ' ' ILE . 15.5 t -53.12 -51.16 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.966 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.49 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.068 0.461 . . . . 0.0 110.104 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 135' ' ' MET . . . . . 0.4 ' HG3' ' HG3' ' C' ' 61' ' ' LYS . 20.6 ttm -61.05 -59.2 5.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.948 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -59.53 -37.9 79.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.99 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -58.06 -64.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 57.97 -168.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.821 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.509 0.195 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.46 -25.65 63.04 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.363 2.042 . . . . 0.0 112.4 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.97 -31.17 68.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.047 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.79 77.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.966 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.748 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.2 mm-40 -63.08 -55.37 26.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 12.3 ttpp -58.52 -44.82 89.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.626 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -43.0 99.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.897 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.4 tp60 -69.79 -30.71 68.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.75 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 8' ' ' GLU . 32.9 t -63.46 -56.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.502 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.817 ' HA ' HD12 ' A' ' 16' ' ' LEU . 17.1 mt -57.17 -42.74 81.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.156 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -28.18 67.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.561 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.814 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.4 t -74.44 -40.51 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.943 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 13' ' ' LEU . 8.8 mt -62.38 -38.9 91.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.822 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.59 -40.29 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -54.7 24.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.707 HD12 HD11 ' D' ' 112' ' ' LEU . 94.2 mt -55.18 -54.93 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.139 0.495 . . . . 0.0 110.319 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.804 ' HA ' HD12 ' A' ' 23' ' ' LEU . 3.5 tmm_? -51.12 -37.26 44.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.145 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.94 -47.56 87.78 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.085 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.665 ' HB3' HD22 ' D' ' 100' ' ' LEU . 1.5 mttm -59.46 -31.87 69.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.849 0.357 . . . . 0.0 110.555 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 20' ' ' ARG . 33.5 mt -66.57 -50.52 62.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.577 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -27.03 64.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.948 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -82.35 -30.48 30.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.343 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.811 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.6 OUTLIER -81.1 -39.62 25.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.475 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.67 -16.34 6.21 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.091 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 8.4 m-20 -97.91 74.14 2.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.9 t -90.23 12.16 18.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.5 m -70.52 -33.68 71.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.5 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.779 ' HB3' HD11 ' D' ' 96' ' ' ILE . 14.7 mm-40 -75.69 -11.53 60.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.494 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.443 ' HB3' ' HD3' ' A' ' 20' ' ' ARG . 7.4 m-20 -57.91 -39.46 78.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.431 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -56.91 -35.77 69.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.866 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.719 ' HG3' HD12 ' D' ' 84' ' ' LEU . 0.0 OUTLIER -66.23 -55.81 14.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.758 0.79 . . . . 0.0 109.707 179.041 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.699 HD12 ' HB2' ' A' ' 20' ' ' ARG . 1.9 mt -58.59 -29.97 66.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.288 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.5 p -76.95 -34.18 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.05 0.452 . . . . 0.0 110.397 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' D' ' 84' ' ' LEU . . . -76.12 -42.49 46.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.951 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CE1' HD11 ' A' ' 42' ' ' LEU . 3.0 t80 -71.53 -45.92 61.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.103 0.478 . . . . 0.0 110.402 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.638 ' HA ' HD13 ' A' ' 16' ' ' LEU . 37.9 t80 -58.29 -53.9 53.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.086 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.51 -48.76 76.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.602 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.435 HG22 ' CD2' ' A' ' 47' ' ' PHE . 54.5 m -52.95 -34.54 56.14 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.709 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -69.35 -32.2 71.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.66 178.532 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.669 ' CE ' HD13 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -67.41 -31.38 71.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.692 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -49.57 133.16 19.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.475 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.81 -37.55 5.02 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.472 2.115 . . . . 0.0 111.982 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.775 HD11 ' CG1' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -66.68 -49.58 65.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.993 179.486 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' A' ' 41' ' ' THR . 27.3 t80 -59.45 -44.05 93.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.258 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -56.78 -38.99 73.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.231 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -60.77 -42.96 98.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.054 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.703 HG12 HD21 ' C' ' 53' ' ' LEU . 3.2 mt -57.93 -51.99 63.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.569 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.601 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -57.38 -40.23 77.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.368 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.9 m -53.45 -46.61 69.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.829 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.69 HD11 HG12 ' C' ' 50' ' ' ILE . 0.8 OUTLIER -59.84 -38.81 83.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.539 178.628 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.582 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.5 OUTLIER -61.86 -37.28 83.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.946 178.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -62.3 -40.07 95.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.228 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 t -60.54 -50.09 74.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.211 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.869 HG21 HG21 ' B' ' 131' ' ' ILE . 64.6 mt -59.77 -35.98 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.27 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -58.3 -44.41 88.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.273 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -39.55 95.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.246 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.578 ' O ' HD12 ' A' ' 64' ' ' LEU . 3.0 mt -56.93 -41.34 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.767 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -64.92 -52.66 55.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.68 -33.0 70.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -82.59 -31.51 28.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.816 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.672 HD13 ' SD ' ' B' ' 135' ' ' MET . 3.3 mt -85.39 60.79 6.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.734 0.302 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.426 ' O ' HD13 ' B' ' 83' ' ' ILE . 3.7 m 41.2 85.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.921 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -58.34 137.33 57.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.595 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.77 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.6 OUTLIER -88.01 -36.99 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.042 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.827 HD21 HD22 ' B' ' 89' ' ' LEU . 9.2 tp 70.21 -52.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.947 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.01 115.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.923 HG12 HG13 ' B' ' 116' ' ' VAL . 1.3 mt -54.21 -24.63 11.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.705 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.02 -44.47 84.62 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.954 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.43 -34.22 36.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.658 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.827 HD22 HD21 ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.28 -31.76 66.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.235 179.277 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 19.2 t80 -72.28 -50.03 30.21 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.973 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -29.94 70.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.423 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' SER . . . . . 0.442 ' C ' HD12 ' B' ' 96' ' ' ILE . 45.4 m -63.58 -51.65 64.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.335 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.772 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -56.63 -37.18 70.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.558 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -59.46 -41.11 88.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.573 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.401 ' O ' ' N ' ' B' ' 99' ' ' THR . 0.9 OUTLIER -68.86 -53.47 21.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.248 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.659 HG23 HD21 ' C' ' 23' ' ' LEU . 7.7 mt -52.04 -38.37 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.874 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.902 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -64.08 -49.41 72.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.742 179.637 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -82.66 -1.04 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.43 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' THR . . . . . 0.401 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -101.53 -33.69 9.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.493 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.782 HD12 HD11 ' B' ' 109' ' ' ILE . 45.7 mt -91.22 -55.46 3.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.245 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.94 36.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.719 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.1 27.04 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.543 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.99 -73.58 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.693 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' GLN . . . . . 0.509 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -60.08 -27.39 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.251 0.548 . . . . 0.0 109.658 179.05 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.783 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -73.16 -47.42 43.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.408 179.092 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -66.69 -31.05 71.47 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.971 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' B' ' 104' ' ' GLN . 5.5 pt-20 -74.04 -39.34 63.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.133 0.492 . . . . 0.0 109.98 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.755 ' CG ' HG22 ' C' ' 15' ' ' VAL . 19.5 m-20 -70.91 -43.26 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.902 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.7 mt -59.29 -49.3 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.537 178.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.687 ' HA ' HD12 ' B' ' 113' ' ' LEU . 0.5 OUTLIER -54.54 -39.0 67.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.121 179.617 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.525 HD23 HG22 ' C' ' 12' ' ' VAL . 0.5 OUTLIER -56.72 -51.11 70.08 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.278 179.017 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.886 HD21 HG11 ' C' ' 15' ' ' VAL . 1.0 OUTLIER -60.37 -39.62 87.89 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.646 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' B' ' 110' ' ' SER . 4.6 mt -60.74 -41.37 95.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.999 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.85 -53.07 60.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.804 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.57 HD22 HG21 ' C' ' 12' ' ' VAL . 0.9 OUTLIER -64.9 -35.2 80.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.559 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.923 HG13 HG12 ' B' ' 86' ' ' ILE . 49.3 t -69.09 -40.64 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.292 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 51.7 mt-30 -81.45 -13.02 58.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.91 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -53.01 123.05 10.59 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.639 0.257 . . . . 0.0 110.401 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -49.14 -59.43 3.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.61 -50.28 74.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.774 0.321 . . . . 0.0 111.005 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 6.1 t80 -56.25 -52.29 64.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.619 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -49.83 -38.06 33.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.457 ' O ' HG13 ' B' ' 127' ' ' ILE . 3.8 m-20 -65.89 -48.69 70.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.655 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.621 ' HB2' ' OE1' ' C' ' 54' ' ' GLN . . . -56.96 -49.63 75.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.662 ' CD1' HD12 ' B' ' 86' ' ' ILE . 26.2 t80 -59.76 -34.86 73.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.566 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -31.86 72.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.374 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.656 HD11 ' CD1' ' D' ' 127' ' ' ILE . 7.8 mt -67.01 -49.68 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.374 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.699 ' O ' ' HB ' ' B' ' 132' ' ' THR . 23.7 t-80 -69.92 -37.61 75.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.599 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.903 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.0 OUTLIER -55.46 -60.65 3.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.724 -179.377 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.71 -49.04 72.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.663 0.268 . . . . 0.0 111.541 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.869 HG21 HG21 ' A' ' 57' ' ' ILE . 79.3 mt -56.74 -41.63 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.151 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.77 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.4 OUTLIER -61.28 -43.78 98.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.164 0.507 . . . . 0.0 109.704 179.031 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.903 HG23 ' O ' ' B' ' 129' ' ' ASN . 46.7 t -52.94 -51.01 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.754 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -30.78 71.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.495 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 135' ' ' MET . . . . . 0.672 ' SD ' HD13 ' A' ' 64' ' ' LEU . 11.1 ttm -57.46 -61.93 2.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -70.19 -47.37 61.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.32 -30.03 69.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 60.71 -177.51 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 19.4 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.888 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.552 0.215 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.25 -27.37 56.06 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.435 2.09 . . . . 0.0 112.364 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.41 -31.16 72.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.009 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.12 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.519 ' O ' HG23 ' C' ' 12' ' ' VAL . 5.3 mm-40 -60.79 -36.14 78.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.426 ' O ' ' HB ' ' C' ' 12' ' ' VAL . 3.0 tptm -64.78 -48.99 72.46 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 6.4 mmt -61.81 -36.02 79.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.637 ' NE2' HG21 ' C' ' 15' ' ' VAL . 7.6 tm0? -70.92 -34.65 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.566 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.57 HG21 HD22 ' B' ' 115' ' ' LEU . 2.5 t -58.93 -51.28 74.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.426 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.916 ' HA ' HD12 ' C' ' 16' ' ' LEU . 16.0 mt -60.74 -45.07 95.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.959 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -28.56 69.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.662 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.886 HG11 HD21 ' B' ' 112' ' ' LEU . 2.5 t -73.69 -36.73 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.902 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' C' ' 13' ' ' LEU . 11.6 mt -64.17 -40.57 96.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.51 -40.39 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -54.07 31.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.948 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.751 HD12 HD11 ' B' ' 112' ' ' LEU . 75.2 mt -54.98 -57.63 10.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.79 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.77 ' HB3' HD12 ' C' ' 35' ' ' LEU . 1.1 ppt_? -55.09 -30.52 59.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.74 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.93 -46.85 88.13 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.812 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.709 ' HB3' HD22 ' B' ' 100' ' ' LEU . 2.2 mttp -61.49 -37.44 83.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 110.564 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.659 HD21 HG23 ' B' ' 96' ' ' ILE . 26.7 mt -62.93 -50.19 71.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.982 0.42 . . . . 0.0 110.366 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.543 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -58.99 -27.97 65.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.063 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.32 -32.51 29.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.592 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -81.27 -31.06 33.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.176 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.23 21.52 3.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.632 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.44 81.93 1.7 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.874 0.368 . . . . 0.0 110.179 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.543 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -92.4 15.67 13.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.248 179.77 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 20.1 m -88.78 -43.31 11.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.396 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.455 ' HB2' HD13 ' C' ' 23' ' ' LEU . 7.6 mp0 -76.33 -26.67 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.789 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -51.45 -42.38 61.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.726 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.94 -32.64 66.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.133 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -72.57 -44.15 62.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.176 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.2 mt -64.37 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.48 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 m -77.16 -33.84 56.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.206 0.527 . . . . 0.0 109.965 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.722 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.24 -44.65 62.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.544 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.697 ' CE2' HD11 ' C' ' 42' ' ' LEU . 24.5 t80 -70.35 -44.32 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.36 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.655 ' HA ' HD13 ' C' ' 16' ' ' LEU . 22.7 t80 -58.86 -53.67 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.029 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.443 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 6.3 mm-40 -58.94 -48.11 82.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.665 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.83 HG22 ' CD2' ' C' ' 47' ' ' PHE . 60.2 m -57.85 -40.64 80.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.505 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.697 HD11 ' CE2' ' C' ' 38' ' ' PHE . 1.7 mt -61.42 -32.79 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.213 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.477 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -72.41 -32.77 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.739 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -46.82 122.35 7.22 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.209 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.35 -37.65 59.36 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.513 2.142 . . . . 0.0 112.134 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.744 HD11 ' CG1' ' A' ' 57' ' ' ILE . 1.5 tp -64.76 -55.02 22.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.191 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.83 ' CD2' HG22 ' C' ' 41' ' ' THR . 11.4 t80 -58.03 -42.15 84.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.323 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.92 -38.68 70.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.166 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.445 ' HB3' HD12 ' A' ' 53' ' ' LEU . 1.7 mp0 -63.95 -40.55 96.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.092 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.69 HG12 HD11 ' A' ' 53' ' ' LEU . 3.9 mt -59.32 -47.75 89.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.764 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.821 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.5 OUTLIER -67.87 -42.8 80.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.385 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 68.4 m -55.18 -39.7 69.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.996 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.703 HD21 HG12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -63.14 -49.33 74.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.999 179.073 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.621 ' OE1' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -58.97 -35.5 73.27 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.125 179.18 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -62.99 -37.97 89.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.045 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -52.72 63.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.071 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.775 ' CG1' HD11 ' A' ' 46' ' ' LEU . 56.5 mt -60.05 -41.62 86.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.178 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -35.39 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.94 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -66.25 -40.39 90.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.036 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -56.9 -45.1 82.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.44 179.36 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -63.01 -42.25 99.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.97 -24.72 63.61 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.761 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -82.47 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.748 0.309 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.552 HD11 HD23 ' C' ' 60' ' ' LEU . 4.8 mp -58.46 115.59 3.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 62.1 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 80' ' ' ALA . . . . . 0.714 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.927 0.394 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 81' ' ' VAL . . . . . 0.714 HG13 ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER 177.89 39.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.75 -179.593 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.6 101.97 14.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.156 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.718 HD11 HG22 ' D' ' 133' ' ' VAL . 1.1 pt -107.71 178.81 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.581 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 0.719 HD12 ' HG3' ' A' ' 34' ' ' LYS . 2.4 pt? -157.92 -0.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 85' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.0 OUTLIER 58.75 143.15 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.897 0.38 . . . . 0.0 110.899 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.862 HG23 ' CG1' ' D' ' 116' ' ' VAL . 0.8 OUTLIER -70.3 -36.75 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.365 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -38.38 88.55 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.649 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -43.92 32.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.782 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.726 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -72.81 -28.26 62.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.827 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 25.6 t80 -70.37 -43.86 69.27 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 6.6 t -62.69 -34.88 78.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 92' ' ' SER . . . . . 0.825 ' C ' HD12 ' D' ' 96' ' ' ILE . 0.6 OUTLIER -62.89 -53.08 59.62 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.66 179.215 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.741 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -53.77 -36.19 62.12 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -59.43 -45.22 92.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -66.37 -56.15 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.825 HD12 ' C ' ' D' ' 92' ' ' SER . 4.2 mt -50.9 -34.51 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.192 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.789 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.3 OUTLIER -66.89 -48.51 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 179.774 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -76.66 -19.21 58.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.45 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -84.81 -37.56 20.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.949 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.829 HD12 HD11 ' D' ' 109' ' ' ILE . 44.4 mt -100.1 84.29 2.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.04 36.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.24 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -91.1 16.41 9.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.28 -68.34 0.19 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.211 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -57.45 -33.72 68.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.123 0.487 . . . . 0.0 110.415 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.831 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.2 OUTLIER -68.08 -41.39 81.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.596 179.591 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -34.1 74.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.059 0.457 . . . . 0.0 110.139 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -42.26 76.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.805 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.774 ' HB3' HG13 ' A' ' 15' ' ' VAL . 58.1 m-20 -70.23 -41.81 73.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.613 0.72 . . . . 0.0 109.086 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.831 HD12 ' O ' ' D' ' 105' ' ' SER . 4.3 mt -60.69 -49.33 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.502 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.622 ' HA ' HD12 ' D' ' 113' ' ' LEU . 56.6 m -56.84 -33.54 66.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.107 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.433 ' HA ' ' HG2' ' D' ' 114' ' ' GLN . 0.4 OUTLIER -59.71 -51.44 69.78 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.969 179.228 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.825 ' O ' HG23 ' D' ' 116' ' ' VAL . 4.0 mt -60.16 -43.92 95.42 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' D' ' 110' ' ' SER . 4.0 mt -57.25 -46.45 83.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.347 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 114' ' ' GLN . . . . . 0.575 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -60.95 -38.6 86.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.841 -179.811 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.582 HD21 HG21 ' A' ' 12' ' ' VAL . 6.1 mp -67.11 -44.23 80.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.862 ' CG1' HG23 ' D' ' 86' ' ' ILE . 71.1 t -58.87 -53.22 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.319 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -64.39 -25.1 67.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.224 -179.643 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 118' ' ' ASN . . . . . 0.402 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.4 OUTLIER -52.8 125.51 17.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 110.699 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -58.16 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.579 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 120' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 3.6 m-20 -56.13 -50.33 71.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.149 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.1 t80 -56.44 -56.21 23.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.486 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 122' ' ' GLN . . . . . 0.491 ' HG2' HD13 ' D' ' 86' ' ' ILE . 4.3 tt0 -50.97 -33.73 25.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.618 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.455 ' HB3' ' CD1' ' B' ' 127' ' ' ILE . 16.8 m-20 -68.42 -46.36 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.031 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.582 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -59.1 -49.43 77.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.487 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.685 ' HZ ' HD23 ' D' ' 84' ' ' LEU . 14.3 t80 -64.01 -34.7 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.704 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -35.03 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.496 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 0.656 ' CD1' HD11 ' B' ' 127' ' ' ILE . 55.4 mt -72.38 -49.73 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.002 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.669 ' O ' ' HB ' ' D' ' 132' ' ' THR . 3.7 t-80 -67.59 -36.53 81.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.891 ' O ' HG23 ' D' ' 133' ' ' VAL . 2.5 t30 -66.56 -60.11 3.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.3 65.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.69 HG21 ' CG2' ' C' ' 57' ' ' ILE . 70.1 mt -54.53 -45.67 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.401 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.669 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -57.18 -44.29 83.4 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.315 0.579 . . . . 0.0 109.746 179.1 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.891 HG23 ' O ' ' D' ' 129' ' ' ASN . 46.4 t -57.29 -44.73 84.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.659 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -33.09 74.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.998 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 135' ' ' MET . . . . . 0.45 ' HE2' ' HB2' ' D' ' 135' ' ' MET . 13.7 ttm -60.47 -46.03 91.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.547 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -67.48 -34.09 76.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.765 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -67.93 -63.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 61.34 114.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.956 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.423 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.3 t-20 . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.507 0.194 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 34.7 Cg_exo -60.46 -52.83 3.43 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.482 2.121 . . . . 0.0 112.133 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.98 -29.18 11.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.357 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.6 73.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.852 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -68.19 -54.03 20.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.6 tttp -54.83 -43.29 72.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.982 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.64 -48.28 81.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.994 0.426 . . . . 0.0 109.865 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.57 ' NE2' HG23 ' A' ' 15' ' ' VAL . 30.3 tp60 -64.06 -31.9 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.671 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 8' ' ' GLU . 57.9 t -61.21 -55.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.453 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 42' ' ' LEU . 16.1 mt -54.01 -44.25 70.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.019 0.438 . . . . 0.0 110.031 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -28.61 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.604 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.834 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.2 t -73.87 -37.11 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.874 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.58 ' CD2' HD13 ' D' ' 112' ' ' LEU . 61.4 mt -64.05 -40.8 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.614 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -68.07 -44.1 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.827 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -54.5 40.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.026 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.68 HD22 HD12 ' D' ' 100' ' ' LEU . 71.7 mt -52.96 -56.53 15.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.437 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.447 ' CA ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -48.76 -37.85 20.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.974 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.78 -51.21 60.07 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.099 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.751 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.2 OUTLIER -57.35 -34.91 69.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 111.157 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.802 HD23 HD21 ' D' ' 100' ' ' LEU . 21.8 mt -66.59 -50.34 63.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -27.69 64.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.398 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.75 -36.68 25.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.138 0.494 . . . . 0.0 110.223 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -76.01 -32.13 59.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.316 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.41 21.23 5.57 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.553 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 2.7 m-20 -112.85 81.12 1.44 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.05 0.452 . . . . 0.0 109.98 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.85 21.25 6.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.209 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 m -93.69 -44.29 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.491 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.631 ' HB3' HD11 ' D' ' 96' ' ' ILE . 5.5 mp0 -73.21 -25.6 60.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.544 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -48.69 -40.37 27.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.703 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.01 -32.93 68.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.073 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -74.91 -41.22 60.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.175 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.678 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -67.16 -34.88 78.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.228 179.485 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -75.87 -35.52 59.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.676 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.018 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.16 -41.93 73.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.131 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 3.0 t80 -71.47 -51.05 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.505 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.477 ' CE2' ' HD3' ' A' ' 43' ' ' LYS . 80.6 t80 -54.0 -54.3 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.539 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.3 -52.2 66.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.498 HG22 ' CD2' ' A' ' 47' ' ' PHE . 85.0 m -58.62 -36.09 73.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.944 0.402 . . . . 0.0 110.476 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.575 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -62.32 -32.22 72.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.115 179.115 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HD3' ' CE2' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -78.32 -30.61 48.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.298 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -43.42 140.34 2.28 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.667 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.33 -44.9 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.616 2.211 . . . . 0.0 112.403 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.4 OUTLIER -59.1 -55.21 37.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.153 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CE1' HD21 ' A' ' 51' ' ' LEU . 11.9 t80 -56.94 -40.28 76.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -57.43 -44.46 84.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.506 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -58.16 -38.9 77.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.263 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.444 HG12 HD21 ' C' ' 53' ' ' LEU . 4.3 mt -61.83 -52.49 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.909 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.625 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.58 -35.42 80.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.9 m -53.59 -50.19 66.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.285 0.564 . . . . 0.0 109.706 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.821 HD21 HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -58.89 -45.19 90.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.407 178.481 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.726 HE21 ' HB2' ' D' ' 124' ' ' ALA . 5.6 mm-40 -60.98 -31.8 71.38 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.799 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -61.04 -42.92 99.38 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.662 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -43.78 96.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.523 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.914 HG21 HG21 ' B' ' 131' ' ' ILE . 62.0 mt -60.24 -38.29 76.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.793 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -38.9 80.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.929 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.45 -40.03 94.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.272 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.4 mt -55.22 -50.33 69.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.579 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -60.37 -42.59 96.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.85 -54.23 38.67 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -37.52 77.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.2 mt -75.12 87.98 2.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.758 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.749 0.309 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.758 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -172.54 49.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.077 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.9 160.1 27.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.706 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.646 HG22 ' ND2' ' B' ' 129' ' ' ASN . 0.2 OUTLIER -92.92 -54.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.401 . . . . 0.0 110.892 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 1.045 HD13 ' HB3' ' C' ' 37' ' ' ALA . 2.8 tp 62.49 52.68 2.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 84' ' ' LEU . 5.1 mm-40 -37.39 126.12 1.05 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.645 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.916 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -49.44 -27.43 2.74 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.651 -179.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.54 -40.81 96.27 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.246 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -37.96 33.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.143 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.899 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.2 -28.88 63.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.319 179.399 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 50.6 t80 -72.5 -50.0 29.0 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -28.92 69.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' SER . . . . . 0.521 ' HA ' ' NE2' ' C' ' 31' ' ' GLN . 28.7 t -63.57 -53.44 51.74 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.456 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.805 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.4 OUTLIER -58.84 -34.08 71.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -59.73 -42.96 94.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.438 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' B' ' 99' ' ' THR . 0.6 OUTLIER -68.33 -52.85 28.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.239 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.753 HG23 HD21 ' C' ' 23' ' ' LEU . 9.6 mt -51.68 -39.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.994 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.859 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -62.44 -51.93 65.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -80.2 -4.6 53.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.418 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' THR . . . . . 0.402 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -96.76 -33.54 11.66 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.41 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.949 HD12 HD11 ' B' ' 109' ' ' ILE . 27.1 mt -90.96 -57.9 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.165 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.81 36.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.778 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -96.61 26.03 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.629 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' B' ' 106' ' ' GLN . 0.5 OUTLIER 66.51 -72.42 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.59 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -61.81 -29.11 69.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.153 0.502 . . . . 0.0 109.668 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.761 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -72.28 -46.32 56.31 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.76 179.337 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' B' ' 103' ' ' SER . 4.2 pt20 -63.77 -30.4 71.5 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.587 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -40.98 66.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 0.0 110.256 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.777 ' CG ' HG22 ' C' ' 15' ' ' VAL . 49.7 m-20 -70.67 -42.34 70.88 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.949 HD11 HD12 ' B' ' 100' ' ' LEU . 5.7 mt -60.73 -49.38 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.492 178.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.633 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.3 m -56.35 -34.89 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.095 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.539 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -58.56 -51.56 69.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.211 179.11 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.89 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.4 mt -61.18 -43.04 99.5 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' B' ' 110' ' ' SER . 4.4 mt -56.35 -49.74 73.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.681 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.422 ' HA ' ' CG ' ' B' ' 117' ' ' GLN . 6.3 mt-30 -60.93 -44.0 97.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.62 ' CD2' HG21 ' C' ' 12' ' ' VAL . 3.0 mp -60.31 -41.45 93.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.737 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.916 HG13 HG12 ' B' ' 86' ' ' ILE . 64.5 t -65.09 -53.6 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.534 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 113' ' ' LEU . 0.1 OUTLIER -65.54 -16.32 63.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.85 -179.28 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.43 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 0.3 OUTLIER -54.95 131.54 44.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.824 0.345 . . . . 0.0 110.642 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.36 -58.69 7.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.59 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.52 -48.64 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' B' ' 115' ' ' LEU . 12.2 t80 -55.74 -53.26 58.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.57 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.419 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 1.4 mt-30 -49.76 -40.18 40.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.383 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -59.95 -45.67 91.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.878 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -61.31 -43.82 98.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.519 ' CB ' HD11 ' B' ' 86' ' ' ILE . 3.5 t80 -64.41 -36.54 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.203 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 2.9 mmtt -68.26 -40.79 81.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.993 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 1.132 HD11 HD11 ' D' ' 127' ' ' ILE . 6.1 mt -60.92 -49.92 82.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.097 0.475 . . . . 0.0 110.607 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.727 ' O ' ' HB ' ' B' ' 132' ' ' THR . 28.0 t-80 -69.55 -35.37 75.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.449 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.871 ' O ' HG23 ' B' ' 133' ' ' VAL . 9.7 t-20 -55.36 -60.48 3.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.579 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.82 -49.74 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.627 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.914 HG21 HG21 ' A' ' 57' ' ' ILE . 81.8 mt -56.74 -47.11 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.237 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.727 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -55.51 -47.81 75.65 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.316 0.579 . . . . 0.0 109.563 179.092 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.871 HG23 ' O ' ' B' ' 129' ' ' ASN . 63.3 t -55.27 -48.28 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.464 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.14 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 135' ' ' MET . . . . . 0.484 ' HE2' HG22 ' B' ' 131' ' ' ILE . 0.0 OUTLIER -66.4 -44.23 83.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.514 179.757 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.58 -52.73 63.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -70.53 -55.11 9.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 61.83 105.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.085 -0.96 . . . . 0.0 111.01 -179.913 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.545 0.212 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -63.85 -27.62 67.4 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.456 2.104 . . . . 0.0 112.4 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.99 -30.95 65.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.98 99.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.802 ' O ' HG23 ' C' ' 12' ' ' VAL . 3.8 mt-10 -62.96 -49.03 76.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 7.0 ttpt -58.5 -43.3 89.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 2.4 mmt -61.02 -45.05 96.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.862 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.5 ' NE2' HG23 ' C' ' 15' ' ' VAL . 31.8 tp60 -67.46 -33.78 75.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.5 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.802 HG23 ' O ' ' C' ' 8' ' ' GLU . 50.8 t -62.71 -52.58 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.819 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.71 ' HA ' HD12 ' C' ' 16' ' ' LEU . 13.6 mt -58.11 -40.69 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.384 . . . . 0.0 110.14 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -28.53 64.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.684 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.807 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.1 t -72.23 -41.0 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.767 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.723 HD13 ' HA ' ' C' ' 39' ' ' TYR . 5.5 mt -64.07 -41.46 97.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.643 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.49 -40.88 96.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.532 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -69.7 -54.45 13.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.729 HD12 HD11 ' B' ' 112' ' ' LEU . 77.1 mt -54.37 -55.45 28.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.13 0.491 . . . . 0.0 110.337 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.653 ' N ' HD12 ' C' ' 35' ' ' LEU . 4.1 tmm_? -52.37 -41.02 62.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.139 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.26 97.28 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.196 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.483 ' HB3' HD22 ' B' ' 100' ' ' LEU . 2.4 mttm -66.98 -32.55 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.946 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.753 HD21 HG23 ' B' ' 96' ' ' ILE . 41.6 mt -67.73 -50.77 55.6 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.17 0.509 . . . . 0.0 110.168 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -26.67 68.88 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.177 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.99 -34.84 26.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.625 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.444 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.3 OUTLIER -79.33 -29.29 42.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.434 -179.591 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.37 14.25 4.99 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.708 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -108.05 79.82 1.31 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.977 0.418 . . . . 0.0 109.953 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.77 23.7 4.61 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.202 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.9 m -102.43 -54.58 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.124 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.521 ' NE2' ' HA ' ' B' ' 92' ' ' SER . 8.0 mm100 -74.84 -21.11 59.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.548 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ASN . . . . . 0.499 ' HA ' ' HG2' ' C' ' 20' ' ' ARG . 1.4 p-10 -55.26 -34.24 63.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.038 0.447 . . . . 0.0 110.272 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -32.9 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.57 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -65.17 -44.64 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.739 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.653 HD12 ' N ' ' C' ' 20' ' ' ARG . 2.2 mt -62.78 -31.97 73.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.456 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 50.2 m -75.77 -34.64 60.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.924 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 1.045 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -71.82 -45.73 60.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.355 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.762 ' CE2' HD11 ' C' ' 42' ' ' LEU . 51.3 t80 -66.61 -50.96 61.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.175 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.723 ' HA ' HD13 ' C' ' 16' ' ' LEU . 8.7 t80 -54.95 -53.7 52.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.063 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.505 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 2.0 mt-10 -57.96 -48.8 78.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.772 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.661 HG22 ' CD2' ' C' ' 47' ' ' PHE . 91.3 m -53.77 -39.9 65.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.302 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.762 HD11 ' CE2' ' C' ' 38' ' ' PHE . 4.5 mt -63.66 -33.56 75.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.202 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.505 ' HG3' ' HA ' ' C' ' 40' ' ' GLU . 3.0 mmmt -69.99 -29.6 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.759 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -45.76 133.95 6.5 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.264 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.03 -47.53 2.36 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.501 2.134 . . . . 0.0 112.178 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.714 HD11 HD11 ' A' ' 57' ' ' ILE . 2.1 tp -62.73 -52.06 64.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.226 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.661 ' CD2' HG22 ' C' ' 41' ' ' THR . 13.2 t80 -55.39 -43.51 75.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.512 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -57.15 -39.59 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.319 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.27 -37.72 88.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.501 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.821 HG12 HD21 ' A' ' 53' ' ' LEU . 3.3 mt -61.7 -46.49 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.469 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.616 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -64.35 -39.58 94.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.082 179.619 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 26.5 m -53.72 -46.58 70.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.985 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.444 HD21 HG12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -60.21 -45.1 94.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.797 178.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.59 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.3 OUTLIER -59.47 -35.94 75.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.262 179.224 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -63.12 -39.2 94.0 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.138 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 45.8 t -60.81 -46.45 90.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.867 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.878 HG21 HG21 ' D' ' 131' ' ' ILE . 7.5 mt -60.93 -35.25 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.12 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -60.14 -40.61 90.41 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.751 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.8 -43.59 98.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.959 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -51.12 -50.94 57.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.508 179.274 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.577 ' HA ' HD12 ' C' ' 64' ' ' LEU . 0.0 OUTLIER -56.99 -48.26 78.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.044 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.3 -10.71 79.09 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 113.017 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' C' ' 65' ' ' SER . 2.5 mt-30 -120.03 -80.05 0.61 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.857 0.328 . . . . 0.0 111.255 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' C' ' 61' ' ' LYS . 0.2 OUTLIER 52.37 -87.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.17 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 65' ' ' SER . . . . . 0.428 ' N ' ' O ' ' C' ' 63' ' ' GLN . 10.7 t . . . . . 0 C--N 1.332 -0.193 0 CA-C-O 120.886 0.374 . . . . 0.0 110.701 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.716 0.294 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m 42.95 38.73 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.715 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.72 133.42 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.733 HD11 HG22 ' D' ' 133' ' ' VAL . 0.3 OUTLIER -89.28 -166.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.022 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 1.018 HD13 ' HB3' ' A' ' 37' ' ' ALA . 56.9 tp -157.68 -39.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 111.306 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.26 100.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.044 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.941 HG12 HG13 ' D' ' 116' ' ' VAL . 0.8 OUTLIER -49.99 -24.96 2.13 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.7 -179.166 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.37 -48.98 77.37 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.85 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -74.69 -36.26 62.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.757 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.722 HD23 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -70.57 -28.75 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.618 179.601 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.593 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.1 t80 -71.86 -48.95 42.39 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 27.1 t -62.0 -28.96 69.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.697 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 92' ' ' SER . . . . . 0.777 ' C ' HD12 ' D' ' 96' ' ' ILE . 2.3 t -64.71 -53.54 45.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.818 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.775 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -57.83 -37.71 74.33 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.849 0.357 . . . . 0.0 110.304 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -59.22 -43.24 92.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.822 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 95' ' ' HIS . . . . . 0.493 ' CE1' ' HG1' ' D' ' 99' ' ' THR . 2.1 t60 -68.57 -53.97 19.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.777 HD12 ' C ' ' D' ' 92' ' ' SER . 5.4 mt -50.68 -37.47 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.048 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.807 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.2 OUTLIER -64.32 -48.82 74.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.752 179.432 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -1.98 52.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.409 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 99' ' ' THR . . . . . 0.493 ' HG1' ' CE1' ' D' ' 95' ' ' HIS . 1.6 m -100.54 -34.37 9.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.577 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.802 HD21 HD23 ' A' ' 23' ' ' LEU . 15.0 mt -87.62 -53.95 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.413 . . . . 0.0 110.226 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.84 37.1 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.646 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 102' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.2 OUTLIER -97.56 23.14 8.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.743 179.651 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 33.1 t 65.8 -71.71 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.72 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 104' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' D' ' 102' ' ' ASP . 39.3 tp60 -60.9 -30.96 70.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.147 0.499 . . . . 0.0 109.94 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.835 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.4 OUTLIER -70.8 -39.65 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.475 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.71 -36.04 82.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.948 0.404 . . . . 0.0 110.261 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.57 -40.46 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.752 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.759 ' HB3' HG13 ' A' ' 15' ' ' VAL . 41.5 m-20 -70.7 -44.16 67.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.835 HD12 ' O ' ' D' ' 105' ' ' SER . 4.2 mt -58.72 -49.41 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.428 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.627 ' HA ' HD12 ' D' ' 113' ' ' LEU . 70.8 m -57.35 -34.77 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.024 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.717 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.78 -51.34 69.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.941 179.067 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.834 HD21 ' CG1' ' A' ' 15' ' ' VAL . 1.1 mt -63.73 -40.18 96.12 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.439 178.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.628 ' CD1' HG22 ' D' ' 109' ' ' ILE . 5.8 mt -59.17 -40.49 85.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.616 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -52.49 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.43 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.542 ' CD2' HG21 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -60.27 -50.66 72.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.299 0.571 . . . . 0.0 109.72 179.133 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.941 HG13 HG12 ' D' ' 86' ' ' ILE . 89.2 t -54.3 -40.85 49.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.442 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.436 ' HG2' ' CZ ' ' D' ' 90' ' ' PHE . 29.5 mt-30 -86.54 -7.8 58.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.646 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.87 131.64 47.28 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.778 0.323 . . . . 0.0 110.429 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -58.61 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.682 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.31 -50.05 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.414 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.1 t80 -55.73 -55.63 29.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.785 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -54.48 -35.06 62.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.231 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.595 ' O ' HG13 ' D' ' 127' ' ' ILE . 97.0 m-20 -61.08 -51.41 69.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.793 0.33 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.726 ' HB2' HE21 ' A' ' 54' ' ' GLN . . . -56.32 -49.1 75.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.214 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.647 ' HB3' HD12 ' D' ' 86' ' ' ILE . 1.7 t80 -53.64 -41.52 66.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -36.38 83.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.455 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 1.132 HD11 HD11 ' B' ' 127' ' ' ILE . 13.8 mt -63.2 -49.71 82.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.082 0.468 . . . . 0.0 110.427 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.792 ' O ' ' HB ' ' D' ' 132' ' ' THR . 13.5 t-80 -66.13 -27.87 68.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.694 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.846 ' O ' HG23 ' D' ' 133' ' ' VAL . 6.9 t-20 -64.87 -60.62 2.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.734 0.302 . . . . 0.0 111.662 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.22 -50.72 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.945 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.878 HG21 HG21 ' C' ' 57' ' ' ILE . 54.0 mt -53.81 -40.29 43.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.243 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.792 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.6 OUTLIER -63.3 -50.58 69.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.329 0.585 . . . . 0.0 109.484 178.789 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.846 HG23 ' O ' ' D' ' 129' ' ' ASN . 53.7 t -55.42 -50.08 68.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.9 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.33 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.296 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.13 -54.33 48.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.815 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -69.45 -35.07 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -54.5 46.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 59.63 -179.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.915 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 13.8 t-20 . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.572 0.225 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 39.1 Cg_exo -59.62 -53.26 3.5 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.435 2.09 . . . . 0.0 112.058 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.72 -28.8 23.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.241 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 4' ' ' ASN . . . -57.9 -37.53 74.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.036 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.785 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -62.82 -58.21 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.73 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 7.6 ttpt -57.7 -41.79 82.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.53 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -42.69 98.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.517 ' NE2' HG23 ' A' ' 15' ' ' VAL . 22.8 tp60 -69.27 -33.37 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.496 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 8' ' ' GLU . 70.8 t -60.45 -56.15 19.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.291 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.848 HD13 ' NZ ' ' A' ' 43' ' ' LYS . 24.3 mt -53.86 -47.33 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.004 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -28.19 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.729 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.814 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.1 t -73.93 -36.79 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.132 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 13' ' ' LEU . 21.0 mt -64.32 -41.89 96.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -39.24 74.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.772 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -54.09 28.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.999 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.621 HD12 HD11 ' D' ' 112' ' ' LEU . 66.4 mt -55.37 -57.78 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.028 0.442 . . . . 0.0 110.759 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.766 ' HB3' HD12 ' A' ' 35' ' ' LEU . 4.4 ppt_? -55.01 -30.17 58.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.71 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.26 -48.85 65.33 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.865 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HB3' HD22 ' D' ' 100' ' ' LEU . 2.7 mttm -60.95 -32.93 72.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.38 . . . . 0.0 110.433 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 20' ' ' ARG . 39.6 mt -65.1 -50.4 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.455 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HG3' ' ND2' ' A' ' 32' ' ' ASN . 0.4 OUTLIER -58.6 -27.02 64.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.895 178.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.19 -29.39 31.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.517 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.1 OUTLIER -84.08 -38.32 20.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.448 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.96 -17.92 5.96 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.919 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 8.8 m-20 -92.93 68.88 4.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.032 0.444 . . . . 0.0 110.02 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.5 t -86.07 13.34 7.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.642 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.49 HG22 ' NE2' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -70.22 -35.32 73.8 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.627 179.389 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.49 ' NE2' HG22 ' A' ' 30' ' ' THR . 15.3 mp0 -79.94 -22.73 42.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.714 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 29' ' ' THR . 2.8 m-20 -48.51 -46.11 38.06 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.82 0.343 . . . . 0.0 110.633 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -32.52 66.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.903 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -72.14 -36.57 69.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.264 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.766 HD12 ' HB3' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -70.24 -39.84 74.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.0 p -72.23 -37.63 69.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.393 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.71 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -61.18 -47.13 87.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.605 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.507 ' HB2' HD22 ' D' ' 84' ' ' LEU . 4.3 t80 -69.77 -36.22 75.57 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.262 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.618 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -53.87 -54.08 43.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.357 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.88 -52.16 52.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.006 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.9 m -53.04 -27.83 21.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.826 0.346 . . . . 0.0 110.532 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.658 HD12 HD11 ' A' ' 16' ' ' LEU . 5.9 mt -75.51 -39.07 58.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.848 ' NZ ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -67.35 -24.95 65.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -46.71 119.74 5.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.388 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.37 -45.34 12.08 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.531 2.154 . . . . 0.0 111.945 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.749 HD11 HD11 ' C' ' 57' ' ' ILE . 0.5 OUTLIER -59.86 -44.73 94.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.004 179.501 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.49 ' CE1' HD21 ' A' ' 51' ' ' LEU . 16.0 t80 -57.8 -45.22 86.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.473 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -56.73 -40.04 75.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.485 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -61.01 -40.59 94.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.508 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.708 HG12 HD21 ' C' ' 53' ' ' LEU . 1.9 mt -60.25 -48.44 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.747 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.602 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -64.92 -40.68 95.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.446 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.7 m -53.6 -47.17 70.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.018 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.859 HD21 HG12 ' C' ' 50' ' ' ILE . 1.1 tt -58.24 -45.54 87.56 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.669 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.563 ' HA ' HD12 ' A' ' 57' ' ' ILE . 15.3 mt-30 -60.93 -33.93 73.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.82 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -41.13 90.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.763 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 m -61.3 -49.13 78.27 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.867 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.698 ' CG1' HD12 ' C' ' 46' ' ' LEU . 15.0 mt -61.63 -37.55 78.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.967 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -35.98 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.016 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -58.46 -61.28 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.836 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -49.43 -46.2 47.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.567 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG2' ' HG3' ' B' ' 135' ' ' MET . 5.8 mtmt -47.99 -44.45 30.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.724 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.76 15.73 37.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.799 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -143.84 20.84 1.81 Allowed 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' HG ' ' CA ' ' A' ' 60' ' ' LEU . 13.0 mt -100.66 45.88 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.964 0.412 . . . . 0.0 110.722 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.7 p . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 -179.812 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.772 0.32 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 32.7 m -155.31 39.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.405 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' C' ' 37' ' ' ALA . 4.3 mmmt -72.39 135.4 45.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.62 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.651 HG22 ' HB2' ' B' ' 129' ' ' ASN . 0.2 OUTLIER -92.21 -61.42 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 0.0 111.019 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 1.061 HD13 ' HB3' ' C' ' 37' ' ' ALA . 2.7 tp 63.52 53.17 2.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.15 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -41.11 128.2 2.8 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.492 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.866 HG12 HG13 ' B' ' 116' ' ' VAL . 0.7 OUTLIER -49.43 -24.99 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.832 -178.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.87 -45.95 87.12 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.339 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -36.09 53.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.037 0.446 . . . . 0.0 109.942 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.694 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.48 -30.22 64.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.675 179.7 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 15.3 t80 -72.47 -45.8 57.84 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 23.1 m -63.06 -31.4 72.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.532 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' SER . . . . . 0.844 ' O ' HD12 ' B' ' 96' ' ' ILE . 1.5 m -63.07 -53.27 56.33 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.305 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.712 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.6 OUTLIER -56.46 -34.87 67.28 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.195 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -59.19 -44.4 92.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.616 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.18 -55.5 13.86 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.844 HD12 ' O ' ' B' ' 92' ' ' SER . 4.0 mt -50.78 -34.03 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.033 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.572 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -65.57 -50.11 66.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.707 179.576 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -75.91 -20.25 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.07 0.462 . . . . 0.0 110.427 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -83.4 -36.7 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.922 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.758 HD12 HD11 ' B' ' 109' ' ' ILE . 54.5 mt -103.83 82.72 2.03 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.9 37.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.32 -178.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.16 17.87 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.098 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m 68.99 -68.31 0.19 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.185 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -34.68 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.951 0.405 . . . . 0.0 110.379 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.819 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.1 OUTLIER -67.82 -40.62 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.605 179.571 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.7 -32.93 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 110.145 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.42 -41.71 72.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.693 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.785 ' CG ' HG22 ' C' ' 15' ' ' VAL . 7.8 m-20 -70.27 -43.39 70.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.819 HD12 ' O ' ' B' ' 105' ' ' SER . 4.5 mt -60.28 -49.3 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.507 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.612 ' HA ' HD12 ' B' ' 113' ' ' LEU . 21.7 m -55.71 -34.77 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.841 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.678 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -58.08 -50.99 71.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.769 178.748 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.844 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.2 mt -60.8 -40.7 93.64 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.311 0.577 . . . . 0.0 109.465 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' B' ' 110' ' ' SER . 4.0 mt -62.51 -40.52 97.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.611 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.569 ' HG3' ' N ' ' B' ' 115' ' ' LEU . 0.0 OUTLIER -63.93 -37.68 88.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.178 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.685 HD21 HG21 ' C' ' 12' ' ' VAL . 3.6 mp -70.55 -53.41 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.431 0.634 . . . . 0.0 109.36 178.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.866 HG13 HG12 ' B' ' 86' ' ' ILE . 45.0 t -58.75 -34.95 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.55 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.42 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 38.7 mt-30 -87.4 -16.3 35.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.664 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.46 148.85 18.26 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.667 0.27 . . . . 0.0 110.636 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -58.96 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.152 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -59.92 -43.95 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.755 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 10.0 t80 -57.93 -56.37 22.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.419 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -50.01 -35.93 26.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.032 0.444 . . . . 0.0 110.418 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.403 ' HB3' HG12 ' D' ' 127' ' ' ILE . 4.2 m-20 -61.59 -47.8 83.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.629 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.903 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -62.52 -49.25 76.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.297 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.504 ' CD1' HD12 ' B' ' 86' ' ' ILE . 7.6 t80 -62.06 -36.54 81.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.293 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 0.1 OUTLIER -64.47 -40.45 95.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.881 0.372 . . . . 0.0 110.581 -179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 1.066 HD11 HD11 ' D' ' 127' ' ' ILE . 7.0 mt -61.07 -49.85 82.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.115 0.483 . . . . 0.0 110.634 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.776 ' O ' ' HB ' ' B' ' 132' ' ' THR . 38.8 t-80 -65.56 -40.28 92.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.199 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.892 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -55.18 -56.08 24.0 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.856 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' B' ' 129' ' ' ASN . . . -68.35 -51.72 41.28 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.703 HD12 HG22 ' B' ' 127' ' ' ILE . 66.1 mt -56.82 -42.93 78.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.318 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.776 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -58.72 -47.3 85.04 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.436 0.636 . . . . 0.0 109.341 178.82 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 129' ' ' ASN . 86.3 t -52.54 -50.75 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.735 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -64.31 -30.81 71.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.885 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' MET . . . . . 0.431 ' HG3' ' HG2' ' A' ' 61' ' ' LYS . 34.3 ttm -51.49 -58.21 6.9 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.842 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -71.63 -31.99 67.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -71.29 -75.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 62.0 102.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.927 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.715 0.293 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -63.68 -45.11 11.81 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.661 2.24 . . . . 0.0 111.774 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.24 -28.28 11.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.264 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.62 -43.7 89.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.764 ' O ' HG23 ' C' ' 12' ' ' VAL . 10.9 mt-10 -59.28 -55.37 35.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.704 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.0 OUTLIER -60.4 -39.9 89.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.376 179.52 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.7 mmt -61.34 -44.82 96.54 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.515 ' O ' HG23 ' C' ' 15' ' ' VAL . 26.6 tp60 -65.03 -36.5 84.56 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.764 HG23 ' O ' ' C' ' 8' ' ' GLU . 69.6 t -59.59 -49.87 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.543 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.668 HD13 ' HE1' ' C' ' 39' ' ' TYR . 13.7 mt -57.4 -42.15 81.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -68.05 -28.52 67.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.53 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.785 HG22 ' CG ' ' B' ' 108' ' ' ASP . 6.4 t -73.38 -38.41 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.716 179.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' C' ' 13' ' ' LEU . 28.5 mt -64.17 -40.15 95.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.832 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.79 -43.12 69.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -65.33 -54.15 33.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.78 HD12 HD11 ' B' ' 112' ' ' LEU . 60.9 mt -52.4 -57.18 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.001 0.429 . . . . 0.0 110.619 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.699 ' HB2' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -51.62 -37.77 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.039 179.85 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.44 -45.92 94.75 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.948 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.481 ' HB3' HD22 ' B' ' 100' ' ' LEU . 7.3 mttm -62.63 -35.59 80.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.826 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.581 HD21 HG23 ' B' ' 96' ' ' ILE . 26.9 mt -65.58 -50.13 66.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.366 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.519 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -58.61 -28.46 65.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.073 179.219 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.6 -32.54 28.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.381 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.736 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.5 OUTLIER -80.89 -31.75 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.288 -179.759 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.79 24.1 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.54 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -118.05 81.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.01 0.433 . . . . 0.0 110.16 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.519 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -93.69 14.96 17.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.382 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 30' ' ' THR . . . . . 0.564 HG22 HE21 ' C' ' 31' ' ' GLN . 4.0 m -85.38 -44.43 12.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.309 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.683 ' HB3' HD11 ' B' ' 96' ' ' ILE . 1.5 mm-40 -78.75 -21.54 47.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.572 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ASN . . . . . 0.408 ' ND2' ' CG ' ' C' ' 24' ' ' GLN . 22.8 m-20 -53.09 -46.13 68.52 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.0 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -56.7 -32.75 65.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.115 0.483 . . . . 0.0 110.227 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -69.44 -43.93 72.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.289 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.699 HD12 ' HB2' ' C' ' 20' ' ' ARG . 3.1 mt -61.16 -30.54 70.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.533 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -36.55 63.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 1.061 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -69.53 -50.0 49.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.337 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.745 ' CE2' HD11 ' C' ' 42' ' ' LEU . 40.7 t80 -63.48 -50.53 69.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.416 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.668 ' HE1' HD13 ' C' ' 13' ' ' LEU . 1.7 t80 -55.83 -53.44 56.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.929 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -42.37 88.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.367 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.565 HG22 ' CD2' ' C' ' 47' ' ' PHE . 93.3 m -61.68 -41.05 97.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.159 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.745 HD11 ' CE2' ' C' ' 38' ' ' PHE . 5.4 mt -62.6 -30.37 71.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.132 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -84.69 -27.84 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.579 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 74.6 m -43.74 139.52 2.79 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.597 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 45' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 38.7 Cg_exo -59.96 -55.01 1.85 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.553 2.168 . . . . 0.0 112.216 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.698 HD12 ' CG1' ' A' ' 57' ' ' ILE . 3.1 mm? -57.05 -54.97 40.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.936 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.892 ' CE1' HD21 ' C' ' 51' ' ' LEU . 10.5 t80 -50.83 -47.29 60.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.343 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.48 -40.52 71.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.751 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.53 ' HB3' HD12 ' A' ' 53' ' ' LEU . 27.6 mt-30 -65.97 -36.05 82.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.859 HG12 HD21 ' A' ' 53' ' ' LEU . 3.0 mt -62.43 -41.02 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.892 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -70.92 -37.71 72.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.32 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 10.2 m -54.35 -46.97 73.06 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.708 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -61.22 -47.81 84.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.781 178.685 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.447 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.2 OUTLIER -59.78 -32.84 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.829 178.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.7 -38.32 90.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.662 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 6.1 t -60.7 -48.19 82.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.857 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.995 HG21 HG21 ' D' ' 131' ' ' ILE . 44.4 mt -59.86 -39.3 79.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.143 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -36.97 74.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.896 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.08 -38.21 85.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.1 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.834 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.9 mt -57.25 -45.26 84.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.525 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -65.31 -41.6 93.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.115 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.72 -21.57 66.01 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.077 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -88.08 -38.87 15.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.708 0.289 . . . . 0.0 111.22 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 47.7 mt -58.06 -99.85 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 120.821 0.344 . . . . 0.0 111.389 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.76 0.314 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 81' ' ' VAL . . . . . 0.632 HG21 ' HB2' ' D' ' 136' ' ' ASN . 28.3 m -143.08 32.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.183 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.54 141.86 8.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.696 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.934 HG21 ' HA ' ' D' ' 129' ' ' ASN . 0.0 OUTLIER -107.91 -95.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.22 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 0.821 ' CD2' HD22 ' D' ' 89' ' ' LEU . 11.2 tp 166.92 -39.65 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.71 0.29 . . . . 0.0 110.981 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 63.06 113.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.237 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.926 HG12 HG13 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -55.97 -27.25 22.56 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.692 -179.291 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.64 -47.85 81.94 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.372 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -34.59 56.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.869 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.821 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -72.08 -29.65 64.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.541 179.476 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.2 t80 -72.48 -50.05 28.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.885 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 28.8 t -61.45 -31.07 71.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.485 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 73.5 m -62.36 -53.12 59.6 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.427 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' D' ' 112' ' ' LEU . 1.1 mt -54.62 -37.93 66.2 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 94' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' D' ' 90' ' ' PHE . 2.3 mptm? -59.29 -38.7 80.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.39 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 95' ' ' HIS . . . . . 0.446 ' CE1' ' OE1' ' A' ' 31' ' ' GLN . 0.8 OUTLIER -69.9 -54.36 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.119 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' D' ' 93' ' ' LEU . 7.7 mt -50.88 -39.08 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.945 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.764 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -64.02 -50.73 67.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.844 179.769 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -4.05 53.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.38 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 99' ' ' THR . . . . . 0.43 ' N ' ' O ' ' D' ' 95' ' ' HIS . 1.4 m -96.71 -35.1 11.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.43 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.891 HD12 HD11 ' D' ' 109' ' ' ILE . 83.0 mt -91.51 -60.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.48 46.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.916 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 102' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' D' ' 103' ' ' SER . 0.5 OUTLIER -94.8 -63.53 1.16 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.17 179.251 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 103' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' D' ' 102' ' ' ASP . 5.3 t 159.74 -60.39 0.0 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.671 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -71.21 -33.08 69.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.307 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.657 ' O ' HD12 ' D' ' 109' ' ' ILE . 3.0 m -72.1 -35.09 69.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.32 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.96 -42.38 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.057 0.456 . . . . 0.0 110.151 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.8 -38.64 86.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.215 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.754 ' CG ' HG22 ' A' ' 15' ' ' VAL . 84.9 m-20 -70.74 -41.17 72.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.607 0.717 . . . . 0.0 109.164 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.891 HD11 HD12 ' D' ' 100' ' ' LEU . 6.7 mt -60.29 -50.07 81.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.555 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.702 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.0 OUTLIER -58.02 -33.21 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.715 179.223 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.638 HD23 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -56.81 -51.36 69.28 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.67 178.816 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.85 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.4 mt -63.24 -43.99 96.47 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.411 178.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' D' ' 110' ' ' SER . 8.3 mt -55.92 -40.61 73.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.778 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.83 -52.23 65.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.613 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.476 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 0.7 OUTLIER -60.92 -50.37 73.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.352 0.596 . . . . 0.0 109.999 179.166 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.926 HG13 HG12 ' D' ' 86' ' ' ILE . 51.1 t -58.21 -37.92 65.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.69 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.443 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 43.1 mt-30 -86.17 -10.26 55.07 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.68 134.7 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.854 0.359 . . . . 0.0 110.553 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -58.6 7.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.255 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.63 -50.03 75.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 6.4 t80 -55.99 -48.12 76.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -54.78 -38.98 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.176 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.541 ' O ' HG13 ' D' ' 127' ' ' ILE . 79.5 m-20 -63.7 -51.98 62.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.609 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.96 -49.54 75.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.255 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.512 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 12.9 t80 -54.59 -40.59 68.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.744 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 126' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' D' ' 126' ' ' LYS . 0.0 OUTLIER -64.34 -33.86 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.463 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 1.066 HD11 HD11 ' B' ' 127' ' ' ILE . 56.5 mt -64.38 -49.82 79.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.112 0.482 . . . . 0.0 110.544 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.78 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.0 t-80 -67.77 -28.31 67.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.036 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.934 ' HA ' HG21 ' D' ' 83' ' ' ILE . 0.8 OUTLIER -67.43 -60.54 2.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.293 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.87 68.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.995 HG21 HG21 ' C' ' 57' ' ' ILE . 46.8 mt -55.72 -42.87 71.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.186 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.78 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.3 OUTLIER -61.07 -49.02 79.05 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.392 0.615 . . . . 0.0 109.488 178.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.871 HG23 ' O ' ' D' ' 129' ' ' ASN . 47.8 t -57.01 -45.35 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.439 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -33.44 75.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.322 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 14.3 ttm -59.66 -47.1 86.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.538 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 136' ' ' ASN . . . . . 0.632 ' HB2' HG21 ' D' ' 81' ' ' VAL . 24.6 t30 -62.7 -50.43 71.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -48.48 81.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.034 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.64 124.69 27.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.561 0.22 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.3 -34.48 44.43 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.569 2.179 . . . . 0.0 112.277 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.54 -31.09 70.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.98 -28.18 64.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.034 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.781 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.1 mt-10 -64.35 -58.32 6.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.753 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -61.05 -44.72 96.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.454 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -40.21 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.563 ' NE2' HG23 ' A' ' 15' ' ' VAL . 31.5 tp60 -69.46 -34.32 74.22 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 8' ' ' GLU . 40.0 t -60.52 -55.81 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.516 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.672 ' HA ' HD12 ' A' ' 16' ' ' LEU . 16.8 mt -56.84 -40.84 76.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.013 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -28.66 67.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.318 178.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.811 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.2 t -73.67 -37.61 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.78 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 13' ' ' LEU . 28.3 mt -64.32 -41.3 96.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.802 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -71.04 -36.27 72.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.753 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -54.49 20.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.685 HD22 HD12 ' D' ' 100' ' ' LEU . 92.0 mt -53.68 -48.39 69.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.998 0.428 . . . . 0.0 109.917 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HG3' ' HB2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -49.73 -51.41 39.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.632 179.331 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.92 -46.56 55.2 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.898 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.642 ' HB3' HD22 ' D' ' 100' ' ' LEU . 1.0 OUTLIER -58.91 -31.77 68.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.661 0.267 . . . . 0.0 111.043 179.582 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.573 HD12 ' OD1' ' A' ' 32' ' ' ASN . 27.3 mt -72.99 -45.32 58.57 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.116 0.484 . . . . 0.0 110.428 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.85 -26.55 65.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.155 179.248 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.57 -33.76 27.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.698 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 2.2 mptt -83.31 -32.06 26.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.457 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.15 -18.99 11.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.732 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.474 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 9.0 m-20 -71.46 77.16 0.78 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.012 0.434 . . . . 0.0 110.192 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.18 13.34 9.7 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.923 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.4 m -83.4 -48.8 9.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.718 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -73.47 -24.67 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.702 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.573 ' OD1' HD12 ' A' ' 23' ' ' LEU . 29.9 m-20 -51.43 -46.45 62.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.693 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -56.91 -32.6 66.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.253 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -70.56 -37.21 73.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.282 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.431 ' HB2' ' HG3' ' A' ' 20' ' ' ARG . 3.1 mt -68.61 -30.29 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.566 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -77.05 -33.14 57.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.002 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.99 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -73.0 -44.75 60.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.383 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CE2' ' CD1' ' A' ' 42' ' ' LEU . 41.9 t80 -68.31 -51.53 43.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.383 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.523 ' CA ' HD13 ' A' ' 16' ' ' LEU . 3.3 t80 -54.06 -51.95 62.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.562 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.54 -51.78 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 111.078 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.975 HG22 ' CD2' ' A' ' 47' ' ' PHE . 89.5 m -54.17 -49.12 70.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.509 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.66 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -54.02 -35.45 61.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.529 179.328 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.505 ' HG3' HD13 ' A' ' 13' ' ' LEU . 18.6 mtpt -79.6 -33.74 41.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.62 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.7 p -47.12 140.89 6.39 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.223 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.85 -38.03 5.89 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.522 2.148 . . . . 0.0 112.193 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.744 HD11 HD13 ' C' ' 57' ' ' ILE . 0.4 OUTLIER -62.05 -55.32 30.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.199 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.975 ' CD2' HG22 ' A' ' 41' ' ' THR . 11.0 t80 -59.21 -42.73 91.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.218 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -56.09 -39.37 72.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.382 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -42.83 99.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.197 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.918 HG12 HD21 ' C' ' 53' ' ' LEU . 10.3 mt -58.46 -49.26 82.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.938 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.737 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -66.06 -34.55 78.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.157 179.714 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -53.46 -49.68 66.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.822 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.661 HD21 HG12 ' C' ' 50' ' ' ILE . 0.5 OUTLIER -61.29 -44.98 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.485 178.627 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.581 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -59.48 -32.91 70.69 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.921 179.04 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -37.97 87.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.009 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -48.99 79.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.905 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 1.067 HG21 HG21 ' B' ' 131' ' ' ILE . 70.3 mt -60.55 -35.75 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.926 178.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -36.29 76.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.716 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.33 -37.11 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.098 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.812 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.3 mt -56.54 -47.5 79.28 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.636 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.533 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 5.4 mttt -64.3 -58.86 5.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.984 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.57 -42.22 83.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.774 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -65.49 -53.39 43.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.673 0.273 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.2 145.64 46.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.96 0.409 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.763 -179.895 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.753 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 120.99 0.424 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.753 HG13 ' O ' ' B' ' 80' ' ' ALA . 9.7 m -164.02 -55.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.714 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.573 ' H ' HG23 ' B' ' 81' ' ' VAL . 6.5 mmtp 52.79 102.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.234 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.838 ' CD1' HG22 ' B' ' 133' ' ' VAL . 1.3 mt -63.99 -146.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.171 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.825 HD21 HD22 ' B' ' 89' ' ' LEU . 7.6 tp -179.82 -36.36 0.01 OUTLIER 'General case' 0 C--O 1.231 0.096 0 O-C-N 122.241 -0.287 . . . . 0.0 111.276 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 56.73 105.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.311 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.906 HG12 HG13 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -50.02 -24.98 2.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.344 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.04 -40.87 91.33 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.928 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ASP . . . . . 0.437 ' HB3' ' HE2' ' C' ' 34' ' ' LYS . 1.0 OUTLIER -80.86 -37.66 29.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.584 178.516 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.825 HD22 HD21 ' B' ' 84' ' ' LEU . 0.1 OUTLIER -69.53 -32.52 71.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.431 179.382 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 9.3 t80 -72.67 -50.03 27.66 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.901 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.1 m -62.12 -30.42 71.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' SER . . . . . 0.416 ' HA ' ' OE1' ' C' ' 31' ' ' GLN . 0.4 OUTLIER -62.02 -53.02 61.44 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.372 179.283 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.73 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -56.07 -37.15 68.93 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 70.5 mmtt -59.89 -37.76 80.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.856 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' B' ' 99' ' ' THR . 0.5 OUTLIER -72.32 -49.9 30.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.279 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' B' ' 93' ' ' LEU . 9.2 mt -53.62 -43.32 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.454 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.856 ' HB3' HG21 ' B' ' 109' ' ' ILE . 10.8 pt20 -64.56 -41.19 96.47 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.468 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.413 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 29.8 t-80 -86.38 -0.7 56.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' THR . . . . . 0.427 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.2 m -102.28 -35.82 8.71 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.432 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.845 HD12 HD11 ' B' ' 109' ' ' ILE . 75.4 mt -88.39 -53.91 4.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.477 . . . . 0.0 109.831 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.57 43.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.008 178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' B' ' 103' ' ' SER . 4.6 m-20 -95.3 -63.76 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.055 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 102' ' ' ASP . 1.2 m 159.26 -58.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.964 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -29.94 66.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.557 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.657 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.2 OUTLIER -72.26 -38.24 68.89 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.577 179.251 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -42.52 93.87 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.07 0.462 . . . . 0.0 110.517 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -38.55 85.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.146 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.745 ' HB3' HG13 ' C' ' 15' ' ' VAL . 0.5 OUTLIER -70.72 -41.19 72.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.683 0.754 . . . . 0.0 109.13 178.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.856 HG21 ' HB3' ' B' ' 97' ' ' GLN . 8.3 mt -61.63 -49.9 82.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.567 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.712 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.8 t -56.16 -37.07 69.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.008 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.492 HD23 HG22 ' C' ' 12' ' ' VAL . 0.4 OUTLIER -56.58 -51.22 69.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.881 178.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.891 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.2 mt -62.69 -44.03 97.28 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' B' ' 110' ' ' SER . 9.0 mt -54.74 -41.69 70.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.835 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.66 -51.98 66.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.973 0.416 . . . . 0.0 110.576 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.542 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.6 mp -59.57 -47.53 85.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.259 0.552 . . . . 0.0 110.224 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.906 HG13 HG12 ' B' ' 86' ' ' ILE . 48.5 t -58.91 -39.84 78.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.696 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.443 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 52.1 mt-30 -82.55 -13.16 57.07 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 130.67 48.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.645 0.26 . . . . 0.0 110.534 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' LYS . . . . . 0.847 ' NZ ' ' HB1' ' D' ' 130' ' ' ALA . 0.0 OUTLIER -56.54 -59.27 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 111.54 -179.362 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -48.07 80.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.806 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.4 t80 -55.72 -49.42 73.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.687 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -39.58 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.467 ' HB3' HG12 ' D' ' 127' ' ' ILE . 2.5 m-20 -65.33 -43.17 91.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.071 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.957 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -62.34 -49.49 75.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.076 0.465 . . . . 0.0 110.971 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.685 ' CD1' HD12 ' B' ' 86' ' ' ILE . 11.2 t80 -61.6 -34.93 76.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.604 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 0.0 OUTLIER -63.9 -38.15 90.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.255 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 1.034 HD11 HD11 ' D' ' 127' ' ' ILE . 9.2 mt -62.12 -49.79 82.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.117 0.484 . . . . 0.0 110.331 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.622 ' O ' ' HB ' ' B' ' 132' ' ' THR . 17.4 t-80 -65.38 -28.03 68.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.176 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.862 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.6 OUTLIER -66.57 -61.19 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.17 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.81 -50.61 64.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.652 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 1.067 HG21 HG21 ' A' ' 57' ' ' ILE . 54.9 mt -53.62 -42.63 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.519 0.199 . . . . 0.0 110.811 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.622 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.7 OUTLIER -57.86 -49.83 75.38 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.488 0.661 . . . . 0.0 109.389 178.615 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.862 HG23 ' O ' ' B' ' 129' ' ' ASN . 24.5 t -53.79 -46.08 62.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.27 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.309 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -60.38 3.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.982 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -58.47 -45.39 88.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -30.63 69.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -80.33 170.24 16.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.536 0.208 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.93 -28.45 80.96 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.592 2.195 . . . . 0.0 112.303 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.52 -31.6 70.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.015 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.75 -31.6 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.019 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.79 ' O ' HG23 ' C' ' 12' ' ' VAL . 23.7 mt-10 -66.12 -56.87 9.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -43.1 93.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 5.8 mmt -61.71 -53.24 58.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.928 ' O ' HG23 ' C' ' 15' ' ' VAL . 30.4 tp60 -57.69 -39.13 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.686 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.79 HG23 ' O ' ' C' ' 8' ' ' GLU . 24.8 t -54.78 -54.01 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.59 ' HA ' HD12 ' C' ' 16' ' ' LEU . 11.6 mt -53.66 -42.5 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.013 0.435 . . . . 0.0 110.146 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -28.09 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.859 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.928 HG23 ' O ' ' C' ' 11' ' ' GLN . 80.1 t -73.22 -39.37 56.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.051 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.596 HD13 ' CA ' ' C' ' 39' ' ' TYR . 16.9 mt -64.75 -43.2 94.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.102 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.67 -43.04 81.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -64.66 -54.13 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.6 HD12 HD11 ' B' ' 112' ' ' LEU . 29.2 mt -54.67 -57.65 10.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.963 0.411 . . . . 0.0 110.692 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.753 ' HB3' HD12 ' C' ' 35' ' ' LEU . 1.9 ppt_? -54.81 -30.1 56.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.864 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.67 -46.89 71.92 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.72 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.618 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.7 mtpp -59.6 -35.63 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.71 0.29 . . . . 0.0 110.465 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.622 HD23 HD21 ' B' ' 100' ' ' LEU . 20.2 mt -66.28 -47.18 74.48 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.057 0.456 . . . . 0.0 110.253 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.436 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -57.75 -28.44 63.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.949 178.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -82.1 -30.85 30.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.693 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.594 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.6 OUTLIER -83.83 -33.15 24.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.318 -179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.39 11.89 5.92 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.804 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -104.65 81.86 1.83 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.976 0.417 . . . . 0.0 110.003 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.436 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -92.52 19.52 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.037 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 55.3 m -91.13 -39.75 11.97 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.669 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.603 ' HB2' HD13 ' C' ' 23' ' ' LEU . 1.2 mm-40 -83.26 -24.22 32.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ASN . . . . . 0.426 ' ND2' ' CG ' ' C' ' 24' ' ' GLN . 99.4 m-20 -51.68 -39.82 58.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.369 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.12 -41.02 95.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' C' ' 31' ' ' GLN . 2.8 mptt -59.49 -54.9 41.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.084 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.753 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.3 mt -57.85 -39.77 78.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -73.44 -29.95 62.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.127 0.489 . . . . 0.0 109.941 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.702 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.03 -46.48 56.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.666 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.894 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 9.0 t80 -71.05 -43.6 67.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.285 0.564 . . . . 0.0 110.002 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.596 ' CA ' HD13 ' C' ' 16' ' ' LEU . 22.4 t80 -55.4 -53.47 55.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.426 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 0.2 OUTLIER -59.33 -50.41 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.621 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.769 HG22 ' CD2' ' C' ' 47' ' ' PHE . 86.9 m -56.26 -40.56 74.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.894 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 3.8 mt -59.84 -35.42 74.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.146 0.498 . . . . 0.0 110.278 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.464 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 1.0 OUTLIER -70.91 -31.1 67.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.703 179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.23 124.05 5.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.361 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.9 -50.31 7.96 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.428 2.085 . . . . 0.0 112.092 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.757 HD11 HD11 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.91 -52.79 64.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.336 179.74 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.769 ' CD2' HG22 ' C' ' 41' ' ' THR . 15.4 t80 -56.18 -38.49 71.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -57.95 -41.68 83.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.25 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.42 ' HB3' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -63.08 -36.44 83.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.995 179.039 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.728 HD12 ' HD1' ' C' ' 47' ' ' PHE . 12.7 mt -58.74 -48.99 84.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.724 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.571 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.5 OUTLIER -66.16 -42.16 89.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.345 179.707 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 10.0 m -55.85 -41.56 74.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.187 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.918 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -61.47 -49.98 74.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.071 179.231 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.551 ' OE1' HD23 ' C' ' 53' ' ' LEU . 0.0 OUTLIER -60.04 -34.98 74.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.352 179.443 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -61.26 -40.32 93.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.085 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 7.7 t -61.85 -45.89 91.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.86 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.755 ' CG2' HG21 ' D' ' 131' ' ' ILE . 5.3 mt -59.99 -36.86 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.212 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -39.95 91.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.94 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.28 -38.74 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.252 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -57.83 -47.59 82.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.47 179.43 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.469 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 13.2 mtmt -60.07 -56.82 16.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.79 94.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -52.41 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mp -75.05 107.49 7.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.818 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 80' ' ' ALA . . . . . 0.699 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.918 0.389 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 81' ' ' VAL . . . . . 0.699 HG13 ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER 178.84 37.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.952 -179.679 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.51 141.19 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.735 HD12 HG22 ' D' ' 132' ' ' THR . 0.7 OUTLIER -90.2 -168.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.769 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 0.99 HD13 ' HB3' ' A' ' 37' ' ' ALA . 16.2 tp -152.09 -37.86 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 85' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.3 OUTLIER 53.65 109.7 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.951 -179.717 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.975 HG12 HG13 ' D' ' 116' ' ' VAL . 1.0 OUTLIER -49.93 -27.18 3.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.409 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.05 -43.95 93.95 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.233 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -34.55 41.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.738 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.841 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.17 -30.07 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.254 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.558 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 26.4 t80 -72.46 -50.44 26.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.866 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 38.7 m -61.96 -29.44 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.555 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m -63.52 -52.86 59.39 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.456 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.746 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.7 OUTLIER -57.02 -36.78 70.85 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.519 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -59.56 -39.52 84.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.455 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 95' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' D' ' 99' ' ' THR . 0.5 OUTLIER -69.45 -52.77 23.56 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.077 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' D' ' 93' ' ' LEU . 11.7 mt -51.5 -41.29 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.97 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.892 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -61.57 -52.12 65.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.064 179.794 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.09 -5.19 55.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 0.0 110.312 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 99' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.9 m -94.43 -33.06 13.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.394 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.685 HD12 HD22 ' A' ' 19' ' ' LEU . 18.2 mt -90.61 -51.82 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.348 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.61 35.7 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.726 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 102' ' ' ASP . . . . . 0.405 ' HB2' ' HB2' ' D' ' 105' ' ' SER . 0.7 OUTLIER -98.74 22.07 10.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.646 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.0 -71.65 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -59.15 -33.07 70.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.14 0.495 . . . . 0.0 110.025 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.818 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.5 OUTLIER -68.89 -39.8 79.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.347 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -35.67 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.145 0.498 . . . . 0.0 110.288 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -41.48 77.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.678 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.72 ' CG ' HG22 ' A' ' 15' ' ' VAL . 42.7 m-20 -70.43 -43.0 70.82 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.892 HD13 ' HA ' ' D' ' 97' ' ' GLN . 5.2 mt -59.8 -49.2 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.623 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.631 ' HA ' HD12 ' D' ' 113' ' ' LEU . 8.3 t -55.83 -36.94 68.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.08 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.734 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.86 -51.47 68.92 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.29 179.043 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.877 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.8 mt -60.82 -43.18 98.55 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' D' ' 110' ' ' SER . 4.0 mt -56.47 -48.5 76.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.58 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 114' ' ' GLN . . . . . 0.424 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 33.2 mt-30 -60.86 -45.97 92.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.074 0.464 . . . . 0.0 110.458 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.735 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.1 mp -58.59 -38.51 78.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.958 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.975 HG13 HG12 ' D' ' 86' ' ' ILE . 76.2 t -69.34 -53.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.744 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.1 OUTLIER -62.95 -17.75 62.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.917 -179.134 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 118' ' ' ASN . . . . . 0.416 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 1.1 m-20 -51.27 134.57 27.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.675 0.274 . . . . 0.0 110.638 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -61.51 -59.03 5.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.496 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.1 -50.02 74.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.374 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.448 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 10.3 t80 -56.71 -46.78 81.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.603 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.55 -40.77 65.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.524 ' HB3' HG12 ' B' ' 127' ' ' ILE . 6.1 m-80 -68.03 -48.23 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.859 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.901 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -57.16 -49.09 77.04 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.192 0.52 . . . . 0.0 110.823 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.577 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 14.1 t80 -59.36 -38.79 81.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.99 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -62.08 -37.92 86.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.711 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 1.034 HD11 HD11 ' B' ' 127' ' ' ILE . 12.2 mt -62.84 -49.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.679 ' O ' ' HB ' ' D' ' 132' ' ' THR . 7.3 t-80 -66.88 -38.19 85.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.052 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.909 ' O ' HG23 ' D' ' 133' ' ' VAL . 0.3 OUTLIER -64.54 -60.38 3.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.034 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 130' ' ' ALA . . . . . 0.847 ' HB1' ' NZ ' ' B' ' 119' ' ' LYS . . . -62.54 -52.56 62.97 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.755 HG21 ' CG2' ' C' ' 57' ' ' ILE . 57.4 mt -55.12 -35.91 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.75 0.31 . . . . 0.0 110.799 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.735 HG22 HD12 ' D' ' 83' ' ' ILE . 0.6 OUTLIER -64.71 -47.91 76.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.472 0.653 . . . . 0.0 109.404 178.437 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.909 HG23 ' O ' ' D' ' 129' ' ' ASN . 21.6 t -52.57 -51.33 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.96 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.71 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.277 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.1 ttm -57.33 -62.08 2.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -64.81 -34.52 78.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -63.63 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 62.35 119.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.851 179.878 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.549 0.214 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.46 -28.04 70.74 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.449 2.099 . . . . 0.0 112.233 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.52 -27.45 66.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.019 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.61 97.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.968 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.813 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.8 mt-10 -64.33 -55.03 23.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -59.5 -42.52 92.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.491 179.713 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.2 mmt -61.54 -47.5 85.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.822 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.513 ' O ' HG23 ' A' ' 15' ' ' VAL . 31.3 tp60 -64.83 -34.35 78.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.652 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 8' ' ' GLU . 41.3 t -59.64 -55.61 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.594 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.786 ' HA ' HD12 ' A' ' 16' ' ' LEU . 14.0 mt -54.77 -43.27 72.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.027 0.441 . . . . 0.0 110.134 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -28.58 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.847 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.826 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.7 t -72.04 -39.03 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.841 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 13' ' ' LEU . 9.6 mt -64.14 -41.39 97.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.65 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -66.51 -39.68 88.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.844 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -54.23 17.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.684 HD12 HD11 ' D' ' 112' ' ' LEU . 59.9 mt -54.35 -55.39 28.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.894 0.378 . . . . 0.0 110.435 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.798 ' CA ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.04 -38.8 62.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.908 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.97 -41.98 98.11 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.053 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HB3' HD22 ' D' ' 100' ' ' LEU . 14.2 mmtp -64.43 -40.85 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 110.995 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.718 HD21 HG23 ' D' ' 96' ' ' ILE . 19.5 mt -61.65 -50.49 72.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.962 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -27.88 69.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.304 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.57 -32.46 28.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.497 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HE2' ' HA ' ' D' ' 100' ' ' LEU . 0.2 OUTLIER -82.01 -34.42 29.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.273 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.24 -17.19 5.65 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.527 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.37 80.09 1.02 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.928 0.394 . . . . 0.0 110.061 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.652 HG22 HD21 ' A' ' 32' ' ' ASN . 0.2 OUTLIER -90.15 22.47 3.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.736 179.342 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.46 HG22 ' NE2' ' A' ' 31' ' ' GLN . 53.7 m -102.38 -51.06 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.522 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' NE2' HG22 ' A' ' 30' ' ' THR . 0.9 OUTLIER -70.52 -21.41 62.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.58 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.652 HD21 HG22 ' A' ' 29' ' ' THR . 36.5 p-10 -54.57 -42.8 71.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.756 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -32.77 66.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.175 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -72.75 -42.17 64.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.161 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.798 HD12 ' CA ' ' A' ' 20' ' ' ARG . 1.4 mt -66.05 -36.32 82.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.243 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.68 -32.18 60.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.743 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.108 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.83 -44.22 66.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.327 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.64 ' CD2' HD21 ' A' ' 16' ' ' LEU . 2.6 t80 -70.31 -47.36 61.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.401 0.62 . . . . 0.0 109.893 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.718 ' HA ' HD13 ' A' ' 16' ' ' LEU . 24.0 t80 -53.72 -53.32 53.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.092 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -60.56 -52.06 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.756 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.481 HG22 ' CD2' ' A' ' 47' ' ' PHE . 86.0 m -54.54 -41.09 69.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.011 0.434 . . . . 0.0 110.427 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.706 HD22 HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -59.32 -37.38 77.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.188 179.442 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HE2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -70.12 -28.82 65.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.648 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.0 t -45.65 130.32 6.57 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.289 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.83 -51.39 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.356 2.037 . . . . 0.0 112.45 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.908 HD13 HG12 ' C' ' 57' ' ' ILE . 0.2 OUTLIER -58.55 -39.43 80.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.69 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.645 ' CE1' HD21 ' A' ' 51' ' ' LEU . 12.1 t80 -62.49 -43.81 97.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.965 0.412 . . . . 0.0 109.943 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.88 -39.02 70.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.025 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HB3' HD12 ' C' ' 53' ' ' LEU . 2.9 mt-30 -60.79 -42.86 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.038 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.881 HG12 HD21 ' C' ' 53' ' ' LEU . 2.7 mt -58.82 -51.56 70.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.71 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -64.17 -36.31 83.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.174 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.7 m -61.63 -40.76 96.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.318 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.8 HD21 HG12 ' C' ' 50' ' ' ILE . 1.0 OUTLIER -62.19 -51.79 66.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.524 179.682 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.603 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 3.9 pt20 -59.96 -32.04 70.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.055 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -61.62 -41.75 97.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.644 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.2 t -60.89 -42.54 98.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.361 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.785 ' HA ' HD12 ' A' ' 60' ' ' LEU . 3.7 mt -61.42 -35.12 64.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.829 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -60.69 -40.21 91.32 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.554 178.687 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -38.77 92.33 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.136 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -56.3 -47.78 78.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.596 179.395 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.588 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 1.6 mppt? -68.74 -28.32 66.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.43 -23.48 43.44 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.994 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HG2' ' HA ' ' A' ' 60' ' ' LEU . 1.8 pt20 -90.64 -30.37 17.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.752 0.31 . . . . 0.0 111.105 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -86.26 79.94 8.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.901 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.807 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.419 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.781 0.324 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.56 HG23 ' N ' ' B' ' 82' ' ' LYS . 29.7 m -155.48 -55.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.125 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.56 ' N ' HG23 ' B' ' 81' ' ' VAL . 0.1 OUTLIER 62.09 121.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.319 . . . . 0.0 110.69 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.904 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -92.75 -171.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.083 0.468 . . . . 0.0 110.996 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.787 HD13 ' HB3' ' C' ' 37' ' ' ALA . 22.9 tp -134.82 -37.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.234 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.63 108.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.555 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.965 HG12 HG13 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -51.29 -27.24 6.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.336 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.02 -42.83 94.04 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.101 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -34.67 39.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.759 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.827 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.16 -30.98 65.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.203 179.237 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.576 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 33.3 t80 -72.05 -49.86 33.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.739 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 31.0 t -61.73 -29.3 70.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.505 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' SER . . . . . 0.404 ' C ' HD12 ' B' ' 96' ' ' ILE . 14.0 t -63.57 -53.1 57.04 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.393 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.773 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.7 OUTLIER -56.89 -36.78 70.53 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.983 0.42 . . . . 0.0 109.889 179.588 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -59.76 -41.37 90.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.8 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.404 ' O ' ' N ' ' B' ' 99' ' ' THR . 0.6 OUTLIER -69.48 -52.71 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.305 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.797 HG23 HD21 ' C' ' 23' ' ' LEU . 10.6 mt -51.42 -40.46 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.889 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.851 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -62.45 -50.36 71.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.908 179.724 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -81.94 -1.46 48.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.991 0.424 . . . . 0.0 110.583 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' THR . . . . . 0.404 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.4 m -100.3 -33.5 10.37 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.957 HD12 HD11 ' B' ' 109' ' ' ILE . 70.8 mt -90.24 -52.3 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.27 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.81 35.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.712 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.46 21.01 9.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.932 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.75 -70.79 0.1 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.711 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -32.53 72.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 0.0 109.865 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.791 ' O ' HD12 ' B' ' 109' ' ' ILE . 2.9 m -70.25 -38.71 75.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.502 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.44 -34.44 78.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.116 0.484 . . . . 0.0 110.334 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.49 -39.96 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.765 ' HB3' HG13 ' C' ' 15' ' ' VAL . 20.7 m-20 -70.4 -43.76 69.36 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.742 0.782 . . . . 0.0 108.9 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.957 HD11 HD12 ' B' ' 100' ' ' LEU . 5.5 mt -60.05 -49.36 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.643 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.648 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.2 m -56.37 -36.77 69.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.165 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.755 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -57.37 -51.42 69.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.245 179.136 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.866 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.1 mt -61.24 -42.54 98.79 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' B' ' 110' ' ' SER . 5.4 mt -56.57 -48.63 76.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.501 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.404 ' HA ' ' CG ' ' B' ' 117' ' ' GLN . 33.3 mt-30 -60.76 -46.39 90.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.567 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.764 ' CD2' HG21 ' C' ' 12' ' ' VAL . 5.6 mp -57.65 -42.3 83.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.412 0.625 . . . . 0.0 109.719 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.965 HG13 HG12 ' B' ' 86' ' ' ILE . 63.4 t -64.76 -53.54 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.903 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 113' ' ' LEU . 0.0 OUTLIER -63.61 -18.45 63.92 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.093 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.412 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 1.4 m-20 -53.13 146.02 12.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.612 0.244 . . . . 0.0 110.742 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.22 -59.4 2.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.56 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -45.67 90.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.773 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.522 ' HA ' HE22 ' C' ' 54' ' ' GLN . 10.0 t80 -55.87 -55.28 34.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.546 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.92 -39.34 39.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.677 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.46 -47.25 86.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.722 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.885 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.11 -41.26 83.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.596 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 3.7 t80 -68.2 -38.84 82.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.224 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -33.48 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.646 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 1.031 HD11 HD11 ' D' ' 127' ' ' ILE . 5.6 mt -71.78 -49.94 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.748 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.64 ' O ' ' HB ' ' B' ' 132' ' ' THR . 13.8 t-80 -64.27 -49.94 69.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.564 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.97 ' O ' HG23 ' B' ' 133' ' ' VAL . 50.2 t-20 -55.6 -59.96 4.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.945 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -52.12 67.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.648 0.261 . . . . 0.0 111.689 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.707 HD12 HG22 ' B' ' 127' ' ' ILE . 72.4 mt -58.62 -43.1 86.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.286 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.904 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.5 OUTLIER -60.77 -44.09 97.2 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.293 0.568 . . . . 0.0 109.657 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.97 HG23 ' O ' ' B' ' 129' ' ' ASN . 86.1 t -52.91 -51.17 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.124 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.81 -30.65 71.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.027 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' MET . . . . . 0.414 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 31.1 ttm -54.07 -52.39 61.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -85.46 -30.16 23.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -74.98 -67.4 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 66.4 105.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.832 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' C' ' 7' ' ' ALA . 4.7 t30 . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.497 0.189 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' C' ' 4' ' ' ASN . 31.6 Cg_exo -58.03 -56.68 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.442 2.095 . . . . 0.0 112.249 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.98 -30.2 23.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.376 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' C' ' 4' ' ' ASN . . . -61.31 -40.67 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.861 ' O ' HG23 ' C' ' 12' ' ' VAL . 5.8 mm-40 -68.08 -51.19 49.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.4 OUTLIER -53.99 -41.44 67.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.736 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.2 tpt -61.19 -51.32 69.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.43 ' O ' HG23 ' C' ' 15' ' ' VAL . 21.4 tp60 -59.9 -36.37 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.462 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.861 HG23 ' O ' ' C' ' 8' ' ' GLU . 84.4 t -57.85 -48.97 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.908 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.927 ' HA ' HD12 ' C' ' 16' ' ' LEU . 16.8 mt -57.74 -48.75 78.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.029 0.442 . . . . 0.0 110.194 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -65.64 -28.33 69.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.641 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.765 HG13 ' HB3' ' B' ' 108' ' ' ASP . 2.5 t -72.9 -37.87 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.067 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.927 HD12 ' HA ' ' C' ' 13' ' ' LEU . 5.8 mt -64.23 -42.85 96.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.163 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.05 -37.49 75.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.549 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -68.29 -50.01 56.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.695 HD12 HD11 ' B' ' 112' ' ' LEU . 55.7 mt -56.72 -57.76 11.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.095 0.474 . . . . 0.0 110.759 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.803 ' HB3' HD12 ' C' ' 35' ' ' LEU . 4.0 ppt_? -54.93 -33.55 62.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.806 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' C' ' 20' ' ' ARG . . . -63.57 -45.74 93.97 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.333 -0.937 . . . . 0.0 111.796 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.627 ' HB3' HD22 ' B' ' 100' ' ' LEU . 4.0 mttm -61.77 -36.39 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.679 0.276 . . . . 0.0 110.726 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.797 HD21 HG23 ' B' ' 96' ' ' ILE . 11.0 mt -67.28 -50.18 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 110.482 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.47 -29.11 58.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.115 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -82.1 -31.41 30.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.416 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -80.72 -33.12 35.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.46 2.65 8.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.671 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' ASP . . . . . 0.575 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 6.2 m-20 -108.26 70.83 0.77 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.941 0.401 . . . . 0.0 110.367 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -89.74 11.71 19.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.126 0.489 . . . . 0.0 110.388 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 16.5 m -73.14 -33.56 65.58 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.969 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.411 ' HB3' HD11 ' B' ' 96' ' ' ILE . 1.2 mm-40 -83.3 -23.24 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.462 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.07 -48.82 22.38 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.491 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.78 -32.76 65.98 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.788 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -72.82 -47.47 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.718 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.803 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.8 mt -60.68 -29.99 69.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.255 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -77.05 -38.54 52.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.767 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.787 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -67.24 -42.51 83.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.925 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.473 ' HD2' HD21 ' C' ' 16' ' ' LEU . 2.4 t80 -70.85 -42.12 70.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.178 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.799 ' HA ' HD13 ' C' ' 16' ' ' LEU . 15.8 t80 -65.5 -51.81 57.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.292 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.77 -45.02 86.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.131 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.96 HG22 ' CD2' ' C' ' 47' ' ' PHE . 85.2 m -57.99 -47.62 82.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.759 0.314 . . . . 0.0 110.676 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.663 ' HB3' HD21 ' C' ' 13' ' ' LEU . 6.1 mt -58.33 -32.95 68.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.08 0.467 . . . . 0.0 110.485 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.686 ' HG3' HD13 ' C' ' 13' ' ' LEU . 12.3 mtpt -79.5 -35.6 39.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.563 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -45.67 139.52 4.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.308 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.55 -41.34 8.75 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.453 2.102 . . . . 0.0 112.087 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.726 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -60.75 -55.17 36.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.102 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.96 ' CD2' HG22 ' C' ' 41' ' ' THR . 10.2 t80 -58.57 -42.83 88.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.19 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -55.83 -38.32 69.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.434 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.18 -41.89 99.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.123 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.8 HG12 HD21 ' A' ' 53' ' ' LEU . 5.0 mt -60.22 -48.73 86.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.874 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.635 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -61.27 -36.58 80.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.315 179.735 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 30.5 m -59.59 -42.58 92.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.428 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.881 HD21 HG12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -60.45 -51.9 67.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.399 179.598 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.575 ' OE1' ' HB2' ' B' ' 124' ' ' ALA . 13.2 pt20 -62.13 -31.0 71.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -59.65 -40.92 89.3 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -47.56 82.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.503 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.944 HG21 HG21 ' D' ' 131' ' ' ILE . 34.5 mt -60.47 -34.89 59.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.9 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -59.84 -41.76 92.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.859 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -40.92 97.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.983 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.2 mt -55.58 -45.9 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.414 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.805 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.97 -55.3 27.47 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.647 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -57.8 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.943 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.438 HD12 ' O ' ' C' ' 60' ' ' LEU . 3.2 mp -68.59 84.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.956 0.408 . . . . 0.0 111.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 81' ' ' VAL . . . . . 0.406 HG23 ' N ' ' D' ' 82' ' ' LYS . 12.7 m -137.31 -44.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.355 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 82' ' ' LYS . . . . . 0.406 ' N ' HG23 ' D' ' 81' ' ' VAL . 0.3 OUTLIER 55.76 112.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.384 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.816 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.6 OUTLIER -83.44 178.43 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.943 0.401 . . . . 0.0 110.623 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 1.108 HD13 ' HB3' ' A' ' 37' ' ' ALA . 58.9 tp -117.59 -38.37 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.327 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.96 102.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.109 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.89 HG12 HG13 ' D' ' 116' ' ' VAL . 0.6 OUTLIER -49.52 -25.87 2.11 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.523 -179.155 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.05 -46.3 88.17 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.337 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.43 -34.96 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.046 0.45 . . . . 0.0 109.853 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.716 ' O ' HD12 ' D' ' 89' ' ' LEU . 0.1 OUTLIER -72.12 -29.25 63.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.27 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.548 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 9.1 t80 -72.38 -50.27 27.84 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.122 0.487 . . . . 0.0 109.745 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 68.4 m -62.95 -28.06 69.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.431 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 92' ' ' SER . . . . . 0.415 ' OG ' HD11 ' D' ' 96' ' ' ILE . 4.1 t -64.03 -52.97 56.95 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.386 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.765 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.8 OUTLIER -56.87 -37.62 71.59 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -59.43 -40.55 87.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.692 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.68 -53.28 19.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.718 HG23 HD21 ' A' ' 23' ' ' LEU . 10.3 mt -51.87 -38.48 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.885 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.921 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.52 -51.53 67.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.935 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -81.63 -2.95 52.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.446 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 99' ' ' THR . . . . . 0.427 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.9 m -99.09 -32.21 11.37 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.443 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.681 HD12 HD22 ' A' ' 19' ' ' LEU . 15.5 mt -89.95 -53.78 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.241 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.6 35.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.665 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' D' ' 104' ' ' GLN . 7.3 m-20 -96.99 23.51 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.722 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 31.8 t 65.97 -71.47 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.783 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' D' ' 102' ' ' ASP . 2.9 mm100 -60.63 -30.77 70.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.144 0.497 . . . . 0.0 109.91 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.82 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.5 OUTLIER -70.73 -39.87 73.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.554 179.529 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -62.82 -38.33 90.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.003 0.43 . . . . 0.0 110.519 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.69 -39.8 80.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.796 ' CG ' HG22 ' A' ' 15' ' ' VAL . 28.8 m-20 -70.49 -42.95 70.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.921 HD13 ' HA ' ' D' ' 97' ' ' GLN . 4.7 mt -59.95 -49.63 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.645 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.629 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.0 OUTLIER -57.24 -35.16 69.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.082 179.439 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.62 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.76 -51.35 69.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.032 178.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.838 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.3 mt -63.21 -42.67 99.32 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' D' ' 110' ' ' SER . 6.0 mt -56.15 -42.33 76.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.621 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -62.25 -52.21 64.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.785 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.9 mp -58.98 -48.71 80.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.246 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.89 HG13 HG12 ' D' ' 86' ' ' ILE . 62.7 t -57.12 -41.42 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.531 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.452 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 43.9 mt-30 -82.93 -11.04 58.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.5 128.38 36.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.735 0.303 . . . . 0.0 110.482 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -52.31 -58.99 4.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.499 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.71 -50.32 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 111.055 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.6 t80 -55.81 -52.77 62.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -54.65 -31.25 57.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.066 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.611 ' O ' HG13 ' D' ' 127' ' ' ILE . 22.5 m120 -67.55 -52.43 38.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.603 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -58.19 -49.24 77.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.643 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 4.6 t80 -56.18 -40.41 73.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -34.19 76.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.207 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 1.031 HD11 HD11 ' B' ' 127' ' ' ILE . 5.7 mt -63.21 -49.61 82.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.438 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.838 ' O ' ' HB ' ' D' ' 132' ' ' THR . 38.1 t-80 -65.36 -41.25 94.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.015 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.946 ' O ' HG23 ' D' ' 133' ' ' VAL . 27.2 m-20 -55.05 -60.73 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.21 -51.91 58.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.539 0.209 . . . . 0.0 111.506 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.944 HG21 HG21 ' C' ' 57' ' ' ILE . 69.5 mt -56.19 -40.12 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.16 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.838 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -61.46 -43.1 99.46 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.837 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.946 HG23 ' O ' ' D' ' 129' ' ' ASN . 47.0 t -52.88 -47.72 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.463 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -63.1 -32.87 74.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.034 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -42.54 99.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.603 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -67.48 -38.87 85.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -59.25 3.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 63.24 129.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.262 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.645 0.259 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.71 -24.65 61.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.585 2.19 . . . . 0.0 112.344 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.98 -30.37 65.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.85 -37.62 71.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.9 mt-10 -61.21 -57.07 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.721 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -61.49 -42.86 99.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.544 179.675 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -41.52 97.51 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.558 ' NE2' HG23 ' A' ' 15' ' ' VAL . 31.0 tp60 -67.21 -35.67 80.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.748 HG22 HD23 ' D' ' 111' ' ' LEU . 24.5 t -60.17 -47.89 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.438 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.759 ' HA ' HD12 ' A' ' 16' ' ' LEU . 13.5 mt -62.69 -44.63 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.444 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -63.71 -29.4 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.239 178.142 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.783 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.4 t -71.64 -35.81 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.293 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 13' ' ' LEU . 27.0 mt -64.13 -40.43 96.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.056 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.444 ' OD2' ' HA ' ' A' ' 14' ' ' GLN . 5.7 p30 -76.29 -28.05 56.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.43 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -73.84 -54.66 7.49 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.987 0.422 . . . . 0.0 110.418 179.634 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.532 HD12 HD11 ' D' ' 112' ' ' LEU . 89.5 mt -56.59 -49.27 75.4 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.672 ' HB2' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -51.02 -48.33 61.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.836 179.272 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.29 -44.94 65.31 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.876 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.773 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.3 OUTLIER -63.38 -36.3 83.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.511 0.196 . . . . 0.0 111.173 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.802 HD23 HD21 ' D' ' 100' ' ' LEU . 31.4 mt -65.66 -50.5 64.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.014 0.435 . . . . 0.0 110.581 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -26.88 66.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.22 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.59 -32.9 28.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.64 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -32.14 30.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.398 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.82 19.24 5.34 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 120.571 -0.824 . . . . 0.0 112.627 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -110.07 77.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.019 0.438 . . . . 0.0 109.953 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.25 9.03 30.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.307 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.422 HG22 ' NE2' ' A' ' 31' ' ' GLN . 57.3 m -82.51 -54.72 4.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.31 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.556 ' OE1' ' CE1' ' D' ' 95' ' ' HIS . 1.2 mp0 -63.81 -18.93 64.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.034 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -46.66 -46.49 19.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.73 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.55 -36.0 68.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.146 0.498 . . . . 0.0 109.721 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HD3' ' HB2' ' D' ' 92' ' ' SER . 0.4 OUTLIER -61.25 -44.38 97.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.688 178.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.672 HD12 ' HB2' ' A' ' 20' ' ' ARG . 2.5 mt -70.78 -34.81 72.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.733 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -72.13 -34.96 68.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.124 0.487 . . . . 0.0 109.937 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.008 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -74.98 -40.76 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.219 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.717 ' HD2' HD21 ' A' ' 16' ' ' LEU . 2.4 t80 -70.54 -51.09 31.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.357 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.601 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -54.91 -51.1 67.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.286 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.54 -52.31 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.238 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.892 HG22 ' CD2' ' A' ' 47' ' ' PHE . 95.1 m -59.05 -48.53 81.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.52 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.576 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.66 -34.21 61.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.893 179.484 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' HG3' HD13 ' A' ' 13' ' ' LEU . 12.3 mtpt -77.78 -34.81 52.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.611 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.07 134.46 6.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.327 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.72 -40.4 9.99 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.492 2.128 . . . . 0.0 112.203 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.714 HD11 HD13 ' C' ' 57' ' ' ILE . 0.5 OUTLIER -59.61 -55.04 39.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.352 179.701 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.892 ' CD2' HG22 ' A' ' 41' ' ' THR . 12.3 t80 -58.09 -40.58 81.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.389 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -57.6 -41.16 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.495 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.19 -42.44 98.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.267 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.889 HG12 HD21 ' C' ' 53' ' ' LEU . 22.3 mt -56.78 -46.09 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.868 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.03 -36.19 83.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.235 179.679 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.8 m -53.92 -50.82 65.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.988 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.885 HD21 HG12 ' C' ' 50' ' ' ILE . 1.0 OUTLIER -59.4 -44.87 92.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.788 178.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.593 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.1 OUTLIER -59.95 -34.29 73.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.169 179.169 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -40.54 97.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.097 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 t -60.71 -45.84 92.68 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.673 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.93 HG21 HG21 ' B' ' 131' ' ' ILE . 5.7 mt -62.09 -34.78 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.887 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -42.82 84.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.78 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.58 -39.63 94.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.251 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.5 mt -53.01 -47.26 68.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.662 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -63.06 -49.93 72.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.853 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.17 -31.46 79.08 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.592 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -80.06 -42.39 23.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 60' ' ' LEU . 1.1 mt -88.93 53.67 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.774 ' HB3' ' CG ' ' B' ' 136' ' ' ASN . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.841 0.353 . . . . 0.0 111.423 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.532 HG23 HG23 ' B' ' 132' ' ' THR . 16.3 m 41.92 74.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.487 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.96 156.77 16.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.255 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.884 HG23 HG21 ' B' ' 132' ' ' THR . 0.0 OUTLIER -109.17 -103.21 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 119.601 -0.238 . . . . 0.0 111.25 -179.744 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.846 ' CD2' HD22 ' B' ' 89' ' ' LEU . 11.0 tp 159.49 -41.84 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.46 112.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.383 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.821 HG12 HG13 ' B' ' 116' ' ' VAL . 1.1 mt -57.22 -29.53 32.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.765 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.91 -47.69 83.81 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.246 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -35.87 57.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.952 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.846 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.98 -28.6 63.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.563 179.564 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.543 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.42 -50.02 29.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -63.17 -28.47 70.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.517 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' SER . . . . . 0.444 ' C ' HD12 ' B' ' 96' ' ' ILE . 57.7 m -64.36 -51.33 63.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.748 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.736 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.7 OUTLIER -59.29 -38.35 79.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.498 ' HE2' HD22 ' B' ' 113' ' ' LEU . 36.9 mmtt -59.78 -38.54 82.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.288 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.04 -49.54 35.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.768 HG23 HD21 ' C' ' 23' ' ' LEU . 12.0 mt -53.64 -44.1 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.735 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.894 ' HB3' HG21 ' B' ' 109' ' ' ILE . 3.5 pt20 -62.2 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.746 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -85.38 -0.8 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.554 179.129 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 99' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.3 m -102.2 -34.2 9.35 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 1.005 HD12 HD11 ' B' ' 109' ' ' ILE . 76.8 mt -82.8 -50.18 8.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.457 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 100' ' ' LEU . 0.0 OUTLIER 45.06 52.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.232 179.373 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.5 OUTLIER -120.47 20.87 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.119 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 73.4 m 63.17 -75.7 0.03 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.821 0.343 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -54.86 -29.25 54.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.176 0.512 . . . . 0.0 109.958 179.198 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.875 ' O ' HD12 ' B' ' 109' ' ' ILE . 2.4 m -67.7 -43.27 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.212 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.17 -35.7 75.92 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.119 0.485 . . . . 0.0 110.487 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.66 -42.55 77.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.242 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.796 ' HB3' HG13 ' C' ' 15' ' ' VAL . 18.8 m-20 -70.44 -44.89 66.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.732 0.777 . . . . 0.0 108.97 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 1.005 HD11 HD12 ' B' ' 100' ' ' LEU . 3.9 mt -58.44 -48.86 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.393 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.633 ' HA ' HD12 ' B' ' 113' ' ' LEU . 66.6 m -57.14 -34.84 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.149 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.867 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.88 -51.39 69.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.847 178.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.861 HD22 HG13 ' C' ' 12' ' ' VAL . 1.4 mt -63.08 -42.27 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.362 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.638 ' CD1' HG22 ' B' ' 109' ' ' ILE . 6.2 mt -56.82 -40.53 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.7 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.486 ' NE2' ' HA ' ' B' ' 111' ' ' LEU . 0.3 OUTLIER -61.68 -52.34 64.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.558 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.746 ' CD2' HG21 ' C' ' 12' ' ' VAL . 0.9 OUTLIER -60.11 -49.56 77.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.19 179.4 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.853 HG23 ' O ' ' B' ' 112' ' ' LEU . 48.8 t -58.4 -37.28 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.547 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -87.75 -8.57 55.85 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.4 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 1.3 m-20 -61.21 150.67 33.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.717 0.294 . . . . 0.0 110.374 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -72.08 -58.94 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.513 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.78 -46.31 90.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.0 t80 -55.94 -49.92 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.589 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 8.1 mt-30 -54.28 -44.29 71.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.434 ' HB3' HG12 ' D' ' 127' ' ' ILE . 5.9 m120 -59.51 -47.36 85.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.924 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.17 -40.27 81.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.741 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.492 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 4.6 t80 -66.07 -38.49 88.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.828 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 18.0 mmtt -61.77 -37.09 83.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.317 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 1.041 HD11 HD11 ' D' ' 127' ' ' ILE . 10.4 mt -64.68 -49.87 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.272 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.726 ' O ' ' HB ' ' B' ' 132' ' ' THR . 20.6 t-80 -67.11 -27.76 67.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.717 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.866 ' O ' HG23 ' B' ' 133' ' ' VAL . 3.8 t30 -66.23 -60.62 2.61 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ALA . . . . . 0.656 ' HB1' ' HE3' ' D' ' 119' ' ' LYS . . . -67.53 -49.93 61.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.93 HG21 HG21 ' A' ' 57' ' ' ILE . 51.3 mt -53.94 -48.35 63.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 121.199 -0.2 . . . . 0.0 111.156 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.884 HG21 HG23 ' B' ' 83' ' ' ILE . 0.8 OUTLIER -56.87 -53.94 52.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.385 0.612 . . . . 0.0 109.768 179.072 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.866 HG23 ' O ' ' B' ' 129' ' ' ASN . 59.0 t -53.26 -45.18 55.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.617 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -33.76 76.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.969 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.9 ttm -66.22 -38.25 87.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.515 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' ASN . . . . . 0.774 ' CG ' ' HB3' ' B' ' 80' ' ' ALA . 44.7 t-20 -78.54 -35.67 45.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -67.47 0.45 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -86.67 154.3 21.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.865 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.657 0.265 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.01 -27.76 57.84 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.529 2.152 . . . . 0.0 112.354 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.76 -31.94 71.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.67 71.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.05 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.789 ' O ' HG23 ' C' ' 12' ' ' VAL . 1.4 mt-10 -68.09 -57.7 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -51.95 -41.67 62.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.939 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 10' ' ' MET . . . . . 0.403 ' CE ' HD12 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -61.44 -51.7 67.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.445 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.465 ' NE2' HG23 ' C' ' 15' ' ' VAL . 25.7 tp60 -59.53 -36.01 75.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.484 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.867 HG22 HD23 ' B' ' 111' ' ' LEU . 70.2 t -58.38 -45.24 89.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.554 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.758 ' HA ' HD12 ' C' ' 16' ' ' LEU . 12.8 mt -59.46 -49.66 76.95 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.894 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -63.32 -28.46 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.54 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.796 HG13 ' HB3' ' B' ' 108' ' ' ASP . 2.9 t -73.01 -38.25 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.926 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' C' ' 13' ' ' LEU . 9.8 mt -64.12 -39.12 93.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.899 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -71.42 -39.36 71.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.708 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -67.25 -54.24 22.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.818 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.588 HD12 HD11 ' B' ' 112' ' ' LEU . 73.3 mt -53.29 -57.45 10.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.689 ' CB ' HD12 ' C' ' 35' ' ' LEU . 0.9 OUTLIER -52.11 -37.26 53.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.848 179.711 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.73 -46.67 93.09 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.276 -0.964 . . . . 0.0 111.878 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.7 ' HB3' HD22 ' B' ' 100' ' ' LEU . 3.4 mttm -65.45 -32.57 74.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.81 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.768 HD21 HG23 ' B' ' 96' ' ' ILE . 47.7 mt -66.96 -50.18 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.367 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.522 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -61.59 -26.73 68.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.03 178.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.6 -33.1 28.09 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.63 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 -31.28 41.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.406 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.82 23.94 4.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.436 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -119.16 82.95 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.94 0.4 . . . . 0.0 110.167 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.522 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -94.57 18.45 11.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.127 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 30' ' ' THR . . . . . 0.431 HG22 HE21 ' C' ' 31' ' ' GLN . 15.5 m -84.6 -38.68 19.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.556 ' HB3' HD11 ' B' ' 96' ' ' ILE . 0.7 OUTLIER -87.51 -16.66 34.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.622 179.523 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ASN . . . . . 0.418 ' OD1' ' HD3' ' C' ' 20' ' ' ARG . 1.5 m-80 -47.87 -53.24 16.31 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -32.91 65.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.442 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -66.08 -40.03 90.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.982 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.689 HD12 ' CB ' ' C' ' 20' ' ' ARG . 2.3 mt -70.26 -38.47 75.13 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.432 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -70.47 -33.53 71.37 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' B' ' 84' ' ' LEU . . . -72.37 -45.83 58.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.162 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.709 ' HD2' HD21 ' C' ' 16' ' ' LEU . 4.6 t80 -68.14 -42.89 79.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.273 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.708 ' HA ' HD13 ' C' ' 16' ' ' LEU . 0.7 OUTLIER -56.82 -53.48 57.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.993 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.32 -46.46 86.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.282 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.451 ' CG2' ' CD1' ' C' ' 47' ' ' PHE . 93.3 m -56.59 -37.83 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.052 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.529 ' CD1' HD11 ' C' ' 16' ' ' LEU . 9.0 mt -74.31 -27.49 60.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.717 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.495 ' HG3' HD13 ' C' ' 13' ' ' LEU . 5.5 mtpt -81.57 -36.94 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.63 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -47.64 135.5 10.33 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.325 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.27 -37.15 25.33 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.402 2.068 . . . . 0.0 111.944 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.716 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -61.98 -50.27 72.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.077 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.697 ' CE2' HD21 ' C' ' 51' ' ' LEU . 25.5 t80 -57.5 -45.92 84.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.616 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -55.6 -38.28 69.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.03 -42.27 99.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.296 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.885 HG12 HD21 ' A' ' 53' ' ' LEU . 28.9 mt -59.97 -47.33 92.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.951 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.697 HD21 ' CE2' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.72 -35.79 80.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.401 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 94.5 m -54.03 -50.83 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.125 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.889 HD21 HG12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -60.81 -45.68 93.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.832 179.016 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.457 HE21 HD23 ' C' ' 53' ' ' LEU . 0.0 OUTLIER -59.68 -34.63 73.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.189 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.23 -39.4 93.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.08 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 7.8 t -60.92 -45.25 95.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.826 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.781 HG21 HG21 ' D' ' 131' ' ' ILE . 6.0 mt -60.32 -34.95 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.103 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -41.85 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.816 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.64 -39.72 92.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.083 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -55.67 -53.14 60.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.661 179.421 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.649 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 4.6 mtpt -59.45 -34.14 72.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.98 4.68 63.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.132 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -134.75 9.62 3.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.956 0.378 . . . . 0.0 111.628 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.58 151.19 47.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.855 0.36 . . . . 0.0 110.755 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 25.5 p . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.023 -179.863 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.89 0.376 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 m 42.34 68.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.924 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.3 154.39 19.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.604 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.672 ' N ' HD13 ' D' ' 83' ' ' ILE . 0.4 OUTLIER -90.72 -168.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.939 0.399 . . . . 0.0 110.973 -179.754 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 1.008 HD13 ' HB3' ' A' ' 37' ' ' ALA . 25.0 tp -154.77 -36.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.47 105.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.628 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.778 HG12 HG13 ' D' ' 116' ' ' VAL . 0.6 OUTLIER -49.66 -25.59 2.13 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.528 -179.532 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.17 -47.0 84.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.424 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.87 -34.96 57.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.974 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.679 HD11 HG21 ' D' ' 116' ' ' VAL . 0.1 OUTLIER -72.56 -30.57 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.543 179.383 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.504 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 12.6 t80 -71.97 -47.07 54.85 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.669 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -32.04 73.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.346 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 92' ' ' SER . . . . . 0.476 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 2.3 t -61.72 -52.2 65.24 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.847 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.702 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.5 OUTLIER -59.5 -35.3 73.87 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.972 0.415 . . . . 0.0 109.969 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 94' ' ' LYS . . . . . 0.49 ' NZ ' HD22 ' D' ' 113' ' ' LEU . 4.9 mptt -59.38 -43.16 92.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.656 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 95' ' ' HIS . . . . . 0.556 ' CE1' ' OE1' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -67.39 -53.13 31.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.21 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.741 HG23 HD21 ' A' ' 23' ' ' LEU . 11.5 mt -50.88 -41.53 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.043 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.732 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.1 OUTLIER -60.65 -51.26 70.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.052 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -0.75 45.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.535 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 99' ' ' THR . . . . . 0.421 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.4 m -101.13 -32.8 10.39 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.709 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 1.017 HD12 HD11 ' D' ' 109' ' ' ILE . 45.1 mt -88.27 -54.77 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.04 39.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.694 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.3 OUTLIER -101.31 22.3 12.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.783 179.604 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 47.7 m 65.28 -72.36 0.07 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.703 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -60.27 -31.13 69.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.151 0.5 . . . . 0.0 109.802 179.217 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.821 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.8 OUTLIER -70.08 -39.76 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.583 179.468 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.19 -37.09 85.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.062 0.458 . . . . 0.0 110.337 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.54 -41.33 79.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.737 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.754 ' CG ' HG22 ' A' ' 15' ' ' VAL . 25.1 m-20 -70.56 -43.14 70.11 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 1.017 HD11 HD12 ' D' ' 100' ' ' LEU . 4.6 mt -59.09 -49.58 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.446 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.618 ' HA ' HD12 ' D' ' 113' ' ' LEU . 45.1 t -57.7 -33.61 68.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.853 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.748 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.93 -51.09 70.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.824 178.873 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.86 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.7 mt -63.54 -43.04 98.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.378 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.619 ' CD1' HG22 ' D' ' 109' ' ' ILE . 5.4 mt -56.99 -41.13 77.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.754 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.81 -51.22 69.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.986 0.422 . . . . 0.0 110.52 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.626 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.4 mp -59.92 -50.05 75.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.936 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.86 HG23 ' O ' ' D' ' 112' ' ' LEU . 47.8 t -58.3 -41.33 80.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.363 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 117' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -83.75 -6.95 59.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.857 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -65.24 136.52 56.72 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.872 0.368 . . . . 0.0 110.449 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 119' ' ' LYS . . . . . 0.656 ' HE3' ' HB1' ' B' ' 130' ' ' ALA . 0.9 OUTLIER -58.02 -58.34 8.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.433 -179.663 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 120' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' D' ' 120' ' ' ASP . 1.1 m-20 -60.72 -50.3 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.113 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.453 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 7.7 t80 -55.72 -43.31 76.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.65 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 122' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 5.5 mt-30 -57.72 -46.63 84.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.033 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.428 ' HB3' HG12 ' B' ' 127' ' ' ILE . 5.3 m120 -59.87 -46.07 90.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.912 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.8 -48.37 78.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.467 ' HB3' ' CD1' ' D' ' 86' ' ' ILE . 2.7 t80 -60.09 -36.7 77.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 126' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 22.6 mmtt -64.17 -36.35 83.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.651 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 1.041 HD11 HD11 ' B' ' 127' ' ' ILE . 10.0 mt -65.44 -49.75 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.119 0.485 . . . . 0.0 110.647 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.682 ' O ' ' HB ' ' D' ' 132' ' ' THR . 8.8 t-80 -67.3 -32.51 73.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.965 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.916 ' O ' HG23 ' D' ' 133' ' ' VAL . 17.0 m-20 -63.89 -60.8 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.9 -52.1 47.29 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.781 HG21 HG21 ' C' ' 57' ' ' ILE . 53.5 mt -53.54 -36.51 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.691 0.281 . . . . 0.0 110.548 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.682 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -63.18 -50.11 71.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.532 0.682 . . . . 0.0 109.167 178.287 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.916 HG23 ' O ' ' D' ' 129' ' ' ASN . 16.7 t -52.82 -51.2 38.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.801 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -30.89 71.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.243 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 135' ' ' MET . . . . . 0.415 ' HG3' ' HG3' ' C' ' 61' ' ' LYS . 28.4 ttm -57.5 -61.98 2.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.929 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -66.58 -28.64 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -59.08 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 58.94 101.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.201 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.721 ' OD1' ' HB2' ' A' ' 7' ' ' ALA . 5.0 t-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.726 0.298 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.76 -47.98 4.57 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.689 2.259 . . . . 0.0 112.134 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.89 -30.46 46.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.273 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.721 ' HB2' ' OD1' ' A' ' 4' ' ' ASN . . . -59.33 -33.83 71.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.052 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.782 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.3 mt-10 -67.82 -57.57 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HG2' HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -57.26 -43.38 83.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.74 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.42 -47.05 87.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.007 0.432 . . . . 0.0 110.004 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' NE2' HG23 ' A' ' 15' ' ' VAL . 28.1 tp60 -64.41 -34.71 78.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.507 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 8' ' ' GLU . 43.9 t -59.68 -49.02 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.56 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.594 ' HA ' HD12 ' A' ' 16' ' ' LEU . 13.1 mt -59.43 -42.85 92.83 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -28.49 68.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.397 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.757 HG22 ' CG ' ' D' ' 108' ' ' ASP . 3.5 t -74.12 -38.05 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.7 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.631 HD21 ' HD2' ' A' ' 38' ' ' PHE . 40.6 mt -64.17 -37.99 89.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.88 -45.58 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -61.2 -54.24 46.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.05 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.552 HD12 HD11 ' D' ' 112' ' ' LEU . 85.4 mt -53.39 -57.28 11.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.932 0.396 . . . . 0.0 110.47 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.66 ' HB2' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -49.9 -34.97 21.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.203 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.1 -48.28 76.87 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.13 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.747 ' HB3' HD22 ' D' ' 100' ' ' LEU . 1.9 mttp -60.15 -36.05 76.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.583 0.23 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.756 HD23 HD21 ' D' ' 100' ' ' LEU . 20.0 mt -64.59 -50.11 68.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.966 0.412 . . . . 0.0 110.498 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.5 -28.31 65.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.201 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.43 -32.49 28.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -83.15 -30.6 27.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.333 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.8 22.67 5.28 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.525 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 20.2 m-20 -113.11 78.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.987 0.422 . . . . 0.0 110.045 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.92 15.98 13.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.3 m -85.24 -40.51 16.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.426 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.433 ' OE1' ' HA ' ' D' ' 92' ' ' SER . 0.7 OUTLIER -81.64 -24.52 36.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.424 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -48.36 -43.54 33.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.759 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.69 -32.97 69.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.084 0.468 . . . . 0.0 109.919 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HA ' ' CD1' ' D' ' 84' ' ' LEU . 25.5 mmmt -72.05 -39.48 69.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.256 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 20' ' ' ARG . 2.0 mt -68.37 -31.26 70.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.508 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.32 -34.57 63.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.139 0.495 . . . . 0.0 109.845 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.054 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -75.19 -49.05 20.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.52 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.631 ' HD2' HD21 ' A' ' 16' ' ' LEU . 2.5 t80 -61.11 -46.5 90.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.135 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.517 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 1.3 t80 -57.39 -53.45 57.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.932 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.82 -52.3 64.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.172 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.8 m -55.89 -32.77 64.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.922 0.392 . . . . 0.0 110.601 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.498 HD22 ' HG2' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -68.21 -37.22 80.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.115 179.237 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -77.58 -30.72 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.529 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.415 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 53.8 m -39.53 127.47 1.43 Allowed Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.633 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 31.7 Cg_exo -58.26 -55.71 2.04 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.547 2.165 . . . . 0.0 112.358 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.759 HD11 HD11 ' C' ' 57' ' ' ILE . 1.3 tp -58.05 -46.15 85.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.582 ' CE2' HD11 ' A' ' 51' ' ' LEU . 46.1 t80 -58.99 -47.63 84.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.388 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -55.92 -33.2 64.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -65.94 -41.92 90.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.236 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.755 HG12 HD21 ' C' ' 53' ' ' LEU . 2.4 mt -59.58 -47.86 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.395 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.61 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.2 -37.68 88.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.119 179.381 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -53.65 -48.29 69.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.91 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.801 HD21 HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -58.81 -45.0 90.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.423 178.607 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.584 HE21 ' HB2' ' D' ' 124' ' ' ALA . 4.1 mm-40 -60.53 -35.62 76.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.123 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -59.75 -42.34 93.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.076 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -46.34 90.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.806 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.811 HG21 HG21 ' B' ' 131' ' ' ILE . 14.0 mt -61.84 -34.77 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.04 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -39.72 86.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.775 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -40.58 95.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.106 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -52.84 -54.53 33.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.589 179.404 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.436 ' HD2' HG22 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -59.59 -38.89 82.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.882 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.04 -27.01 67.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.592 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -71.37 -38.63 71.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.733 0.302 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mt -74.16 94.87 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.764 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.697 0.284 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 15.1 m 41.94 64.52 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.783 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.03 133.63 39.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.743 HD11 HG22 ' B' ' 133' ' ' VAL . 0.2 OUTLIER -93.67 -172.77 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.031 0.443 . . . . 0.0 111.304 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.836 HD13 ' HB3' ' C' ' 37' ' ' ALA . 0.7 OUTLIER -177.55 62.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.298 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -37.72 122.72 0.98 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.737 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.893 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -49.65 -24.84 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.88 -179.056 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.08 -48.26 81.0 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.656 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.5 -33.98 54.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.078 0.466 . . . . 0.0 109.995 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.7 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.15 -29.92 64.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.375 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 14.5 t80 -72.55 -50.3 26.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.044 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 2.1 m -61.78 -29.52 70.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.555 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 55.7 m -63.07 -53.2 57.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.447 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.7 OUTLIER -57.18 -36.57 70.98 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -59.6 -40.98 89.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.843 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -49.57 54.54 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.696 HG23 HD21 ' C' ' 23' ' ' LEU . 13.3 mt -52.39 -45.19 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.101 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.93 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.2 OUTLIER -58.97 -49.67 76.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.508 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.2 m170 -80.59 -3.75 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.493 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' THR . . . . . 0.42 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.4 m -97.08 -33.3 11.57 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.454 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.816 HD12 HD11 ' B' ' 109' ' ' ILE . 35.1 mt -87.21 -48.54 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.122 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.15 41.13 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.608 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.4 OUTLIER -105.71 19.92 19.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.848 179.6 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.3 -72.86 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.726 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.7 OUTLIER -58.53 -27.44 64.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.094 0.473 . . . . 0.0 109.907 179.288 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.868 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.5 OUTLIER -69.57 -44.35 71.02 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.078 179.259 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -32.88 72.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.048 0.451 . . . . 0.0 110.107 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.71 -42.47 73.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.798 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.776 ' HB3' HG13 ' C' ' 15' ' ' VAL . 1.7 m-20 -70.51 -43.46 69.59 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.93 HD13 ' HA ' ' B' ' 97' ' ' GLN . 4.0 mt -59.58 -48.65 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.315 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.605 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.2 m -56.11 -35.21 66.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.82 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.724 HD23 HG22 ' C' ' 12' ' ' VAL . 0.2 OUTLIER -56.71 -51.29 69.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.674 178.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.795 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.0 mt -63.06 -41.96 99.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.354 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.65 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.0 mt -57.96 -40.02 79.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.573 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.28 -52.04 66.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.671 HD21 HG21 ' C' ' 12' ' ' VAL . 0.9 OUTLIER -61.17 -48.08 83.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.414 0.626 . . . . 0.0 110.071 179.135 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.893 HG13 HG12 ' B' ' 86' ' ' ILE . 93.7 t -60.24 -36.41 68.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.539 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 42.2 mt-30 -88.06 -9.2 54.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 0.4 OUTLIER -58.14 150.7 20.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.687 0.279 . . . . 0.0 110.6 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -59.13 2.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.245 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -61.02 -46.54 90.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.3 t80 -55.94 -52.46 64.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.558 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -53.35 -38.76 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.798 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.534 ' O ' HG13 ' B' ' 127' ' ' ILE . 11.5 m120 -62.19 -51.93 65.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.755 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -56.93 -49.04 76.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.374 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.532 ' CD1' HD12 ' B' ' 86' ' ' ILE . 15.0 t80 -56.27 -42.0 76.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.463 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' LYS . . . . . 0.425 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 0.5 OUTLIER -63.23 -37.71 88.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.651 -179.759 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 1.073 HD11 HD11 ' D' ' 127' ' ' ILE . 45.0 mt -59.23 -50.01 81.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.431 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.79 ' O ' ' HB ' ' B' ' 132' ' ' THR . 25.0 t-80 -62.8 -34.76 77.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.325 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.881 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.6 OUTLIER -55.23 -60.76 2.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.612 -179.471 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.33 -48.54 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.695 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.811 HG21 HG21 ' A' ' 57' ' ' ILE . 43.9 mt -55.87 -42.05 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.106 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.79 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.6 OUTLIER -61.68 -50.12 73.74 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.881 HG23 ' O ' ' B' ' 129' ' ' ASN . 49.7 t -55.61 -42.62 69.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.645 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.19 -31.06 72.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.176 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.6 ttm -66.68 -48.36 69.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.718 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -61.74 -37.58 84.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -77.26 -72.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 59.0 77.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.882 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 31.3 t30 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.56 0.219 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.14 -28.59 56.44 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.469 2.113 . . . . 0.0 112.305 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.37 71.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.4 -41.33 76.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.722 ' O ' HG23 ' C' ' 12' ' ' VAL . 1.4 mm-40 -62.0 -56.93 14.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.761 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -57.95 -41.32 82.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.625 179.71 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -53.09 60.76 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.921 ' O ' HG23 ' C' ' 15' ' ' VAL . 23.0 tp60 -57.61 -38.8 75.56 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.724 HG22 HD23 ' B' ' 111' ' ' LEU . 37.8 t -54.91 -54.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.883 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.596 HD13 ' HG3' ' C' ' 43' ' ' LYS . 13.3 mt -55.07 -41.53 71.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.09 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -28.33 66.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.552 178.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.921 HG23 ' O ' ' C' ' 11' ' ' GLN . 79.1 t -72.65 -38.07 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.861 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.739 HD23 HD13 ' B' ' 112' ' ' LEU . 32.6 mt -64.33 -43.36 94.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.622 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -68.71 -44.47 73.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.98 -54.65 44.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.96 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.6 HD12 HD11 ' B' ' 112' ' ' LEU . 92.0 mt -52.98 -56.93 12.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.31 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.686 ' CB ' HD12 ' C' ' 35' ' ' LEU . 1.7 tmm_? -48.57 -38.39 20.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.034 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.69 -50.43 67.82 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.237 -0.982 . . . . 0.0 111.825 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.698 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.2 mttm -59.76 -34.56 73.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.721 0.296 . . . . 0.0 111.05 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.696 HD21 HG23 ' B' ' 96' ' ' ILE . 18.8 mt -68.15 -49.99 57.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 110.626 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.435 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.3 OUTLIER -57.47 -28.07 63.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.334 179.516 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -82.74 -37.44 24.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.18 0.514 . . . . 0.0 110.221 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -74.45 -30.29 61.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.274 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.13 23.16 5.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.367 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 11.0 m-20 -116.25 79.45 1.31 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.994 0.426 . . . . 0.0 110.178 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.435 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -90.39 8.37 33.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.27 179.675 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 95.8 m -74.47 -42.18 59.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.47 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.644 ' HB3' HD11 ' B' ' 96' ' ' ILE . 1.9 mm-40 -78.02 -24.92 47.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -44.4 -51.38 8.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.92 -32.64 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.395 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' B' ' 84' ' ' LEU . 2.0 mmmm -72.92 -39.73 66.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.686 HD12 ' CB ' ' C' ' 20' ' ' ARG . 2.0 mt -70.0 -30.69 68.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.786 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -31.35 55.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.969 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.836 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -77.44 -47.83 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.493 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.46 ' CA ' HD22 ' B' ' 84' ' ' LEU . 3.3 t80 -65.44 -36.63 84.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.338 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.477 ' HA ' HD13 ' C' ' 16' ' ' LEU . 61.0 t80 -67.3 -52.99 33.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.324 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -52.34 66.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.336 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.441 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 97.1 m -56.81 -39.36 74.01 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.846 0.355 . . . . 0.0 110.582 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.59 ' HB3' HD21 ' C' ' 13' ' ' LEU . 0.3 OUTLIER -60.76 -36.41 78.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.24 179.212 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.596 ' HG3' HD13 ' C' ' 13' ' ' LEU . 18.6 mtpt -79.1 -32.72 44.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.602 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.8 134.29 4.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.319 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.45 -42.89 8.91 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.385 2.057 . . . . 0.0 112.12 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.587 HD13 HG12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -59.98 -55.17 37.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.182 179.562 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.888 ' CE1' HD21 ' C' ' 51' ' ' LEU . 26.1 t80 -58.77 -45.21 90.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.453 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -56.49 -35.2 67.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.573 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -65.71 -41.96 91.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.279 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.801 HG12 HD21 ' A' ' 53' ' ' LEU . 8.4 mt -59.16 -45.5 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.873 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.888 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -68.4 -35.75 78.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.461 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -53.92 -47.32 71.31 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.755 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -61.55 -47.67 84.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.623 178.652 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.626 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -59.03 -31.95 69.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.733 178.832 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -65.05 -38.3 90.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.916 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -60.65 -50.09 74.89 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.892 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 1.055 HG21 HG21 ' D' ' 131' ' ' ILE . 63.5 mt -59.96 -36.65 68.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.857 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -59.91 -36.71 77.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.96 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -66.39 -40.61 89.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.951 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.3 mt -54.47 -50.41 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.516 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -37.49 87.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.889 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.23 -58.47 14.38 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.668 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.75 -57.78 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 0.0 110.961 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.496 HD13 ' O ' ' C' ' 60' ' ' LEU . 5.7 mp -51.68 -24.51 5.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.553 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.933 179.624 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 80' ' ' ALA . . . . . 0.602 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.991 0.424 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 81' ' ' VAL . . . . . 0.602 HG13 ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER -165.23 30.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.156 -179.762 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 141.93 30.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.634 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.586 HD12 HG22 ' D' ' 132' ' ' THR . 1.5 mm -81.85 160.1 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.038 0.447 . . . . 0.0 111.152 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 1.054 HD13 ' HB3' ' A' ' 37' ' ' ALA . 3.6 tp -146.78 53.41 1.1 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.5 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.87 126.48 2.49 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.445 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.757 HG12 HG13 ' D' ' 116' ' ' VAL . 0.7 OUTLIER -49.3 -25.01 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.823 -178.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -42.73 97.62 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.372 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.94 -39.13 35.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.24 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.719 HD11 HG21 ' D' ' 116' ' ' VAL . 0.1 OUTLIER -72.38 -28.83 63.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.545 179.61 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.53 ' CB ' ' O ' ' D' ' 86' ' ' ILE . 1.5 t80 -72.48 -47.14 51.07 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -64.11 -28.45 69.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.664 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 92' ' ' SER . . . . . 0.433 ' HA ' ' OE1' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -65.84 -49.21 68.99 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.621 179.613 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.7 OUTLIER -60.18 -39.18 85.57 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 120.975 0.417 . . . . 0.0 110.111 179.768 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -40.58 89.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.116 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 95' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' D' ' 99' ' ' THR . 0.2 OUTLIER -69.51 -48.98 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.293 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' D' ' 93' ' ' LEU . 20.6 mt -51.87 -47.88 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.06 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.908 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.9 OUTLIER -57.48 -49.55 75.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.222 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -81.39 -1.09 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.025 0.441 . . . . 0.0 110.646 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 99' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.4 m -99.82 -32.79 10.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.489 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.898 HD12 HD11 ' D' ' 109' ' ' ILE . 57.1 mt -89.31 -47.57 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.364 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.89 41.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.59 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 102' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' D' ' 104' ' ' GLN . 1.1 m-20 -104.43 18.03 22.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.988 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.6 -72.1 0.08 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.767 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 104' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -57.25 -33.06 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.178 0.513 . . . . 0.0 110.014 179.461 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.856 ' O ' HD12 ' D' ' 109' ' ' ILE . 85.0 p -68.01 -42.14 81.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.533 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -35.84 76.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.033 0.444 . . . . 0.0 110.457 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.08 -41.57 77.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.724 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.757 ' CG ' HG22 ' A' ' 15' ' ' VAL . 12.2 m-20 -70.54 -42.33 71.32 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.908 HD13 ' HA ' ' D' ' 97' ' ' GLN . 4.1 mt -59.74 -49.07 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.332 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.569 ' HA ' HD12 ' D' ' 113' ' ' LEU . 8.4 t -56.41 -34.85 67.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.823 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.753 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.79 -51.32 69.39 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.781 178.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.808 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.9 mt -63.63 -41.82 98.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.352 178.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.681 ' CD1' HG22 ' D' ' 109' ' ' ILE . 4.2 mt -57.5 -40.65 79.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.673 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.91 -52.18 65.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.461 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.686 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.3 mp -59.95 -51.07 71.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.124 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.808 HG23 ' O ' ' D' ' 112' ' ' LEU . 61.0 t -57.08 -33.66 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.376 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 117' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -94.47 -4.21 48.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.777 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.64 128.61 36.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.699 0.285 . . . . 0.0 110.428 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -50.12 -58.74 4.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.599 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.09 -49.14 78.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 10.3 t80 -55.78 -49.59 72.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.79 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 122' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 1.9 mt-30 -55.64 -37.81 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.469 ' HB3' HG12 ' B' ' 127' ' ' ILE . 6.4 m-20 -60.56 -51.06 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.709 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.943 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -57.2 -42.84 82.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.096 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.45 ' CG ' ' CD1' ' D' ' 86' ' ' ILE . 4.3 t80 -65.11 -38.88 92.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.44 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 126' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 17.4 mmtt -62.86 -35.53 80.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 1.073 HD11 HD11 ' B' ' 127' ' ' ILE . 7.9 mt -66.37 -49.89 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.655 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.2 t-80 -67.62 -38.81 84.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.788 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.944 ' O ' HG23 ' D' ' 133' ' ' VAL . 1.3 t30 -56.02 -60.8 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.969 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.13 41.06 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 1.055 HG21 HG21 ' C' ' 57' ' ' ILE . 65.8 mt -53.69 -35.74 27.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.349 . . . . 0.0 110.516 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.655 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.9 OUTLIER -63.81 -53.18 54.8 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.163 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.944 HG23 ' O ' ' D' ' 129' ' ' ASN . 21.8 t -52.97 -47.07 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.348 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -58.22 9.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -59.91 -39.02 84.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -68.45 -68.2 0.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.733 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -100.05 125.73 46.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.814 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.682 ' HB3' ' HB3' ' A' ' 7' ' ' ALA . 2.3 t-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.625 0.25 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 4' ' ' ASN . 20.5 Cg_endo -61.06 -30.46 89.51 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.462 2.108 . . . . 0.0 112.49 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.32 -38.67 50.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.164 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.682 ' HB3' ' HB3' ' A' ' 4' ' ' ASN . . . -63.75 -30.36 71.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.777 ' O ' HG23 ' A' ' 12' ' ' VAL . 36.2 mt-10 -66.23 -47.96 72.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.726 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.95 -44.75 96.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.515 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -48.59 79.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.072 0.463 . . . . 0.0 109.775 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.806 ' O ' HG23 ' A' ' 15' ' ' VAL . 29.7 tp60 -63.09 -33.79 76.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.859 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 8' ' ' GLU . 10.7 t -58.89 -56.69 15.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.564 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.88 HD13 ' HE2' ' A' ' 43' ' ' LYS . 19.1 mt -54.63 -42.09 70.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.438 . . . . 0.0 110.341 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -28.24 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.877 178.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.825 HG13 ' HB3' ' D' ' 108' ' ' ASP . 25.5 t -75.19 -37.84 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.096 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 13' ' ' LEU . 13.7 mt -64.59 -40.91 96.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.819 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -41.15 71.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.723 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -54.31 28.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.651 HD12 HD11 ' D' ' 112' ' ' LEU . 58.0 mt -54.37 -57.48 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.6 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.759 ' HB2' HD12 ' A' ' 35' ' ' LEU . 2.6 tmm_? -53.17 -33.78 54.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.718 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.97 -49.25 80.7 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.796 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.576 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.2 OUTLIER -61.65 -35.91 79.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 110.653 179.558 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 20' ' ' ARG . 39.1 mt -63.09 -50.44 70.52 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.723 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.407 ' HG2' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -56.59 -32.13 64.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.73 -26.24 32.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.237 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.431 ' CE ' ' HA ' ' D' ' 100' ' ' LEU . 11.6 mttm -79.28 -38.13 36.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.64 -7.67 11.13 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.567 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -94.35 86.66 4.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 110.254 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.55 15.15 13.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.849 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.6 m -78.2 -56.26 4.61 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.623 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.447 ' OE1' ' CE1' ' D' ' 95' ' ' HIS . 14.8 mp0 -72.78 -20.75 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 3.1 m-20 -50.79 -47.61 59.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -32.12 65.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.187 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -67.26 -45.96 75.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.252 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.759 HD12 ' HB2' ' A' ' 20' ' ' ARG . 1.4 mt -59.67 -32.0 70.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 t -76.48 -32.74 58.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.785 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.741 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.95 -46.37 62.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.495 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD2' HD21 ' A' ' 16' ' ' LEU . 3.1 t80 -68.79 -49.2 60.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.218 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.596 ' CA ' HD13 ' A' ' 16' ' ' LEU . 44.4 t80 -54.66 -54.51 40.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.339 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HA ' ' HG3' ' A' ' 43' ' ' LYS . 1.3 mm-40 -61.02 -52.23 65.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.7 m -54.86 -31.6 59.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.534 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.582 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -68.52 -34.98 76.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.4 179.472 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.88 ' HE2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -70.73 -32.2 69.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.71 126.0 6.51 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.304 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.35 -32.39 72.31 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.469 2.113 . . . . 0.0 112.143 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.694 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -66.27 -55.06 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.67 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.522 ' CE1' HD21 ' A' ' 51' ' ' LEU . 9.8 t80 -58.22 -43.4 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -57.73 -36.93 72.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.458 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -40.89 96.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.243 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.853 HG12 HD21 ' C' ' 53' ' ' LEU . 13.4 mt -59.21 -46.66 92.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.841 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.614 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -64.86 -37.57 88.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.321 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 m -53.42 -51.41 62.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.038 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.895 HD21 HG12 ' C' ' 50' ' ' ILE . 0.5 OUTLIER -58.55 -42.53 88.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.603 178.793 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.519 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 4.0 mm-40 -60.74 -37.58 82.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.194 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -59.77 -40.99 90.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.038 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 m -60.69 -45.99 92.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.767 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.947 HG21 HG21 ' B' ' 131' ' ' ILE . 12.0 mt -60.85 -34.67 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.149 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 14.4 mttm -59.95 -42.87 95.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.742 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -39.17 91.13 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.989 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.5 mt -56.78 -44.22 81.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.456 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.892 ' HE3' HG23 ' B' ' 131' ' ' ILE . 0.0 OUTLIER -59.82 -56.74 18.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.75 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.95 -37.73 94.29 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.662 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -63.48 -41.71 98.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.889 0.376 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.4 mt -82.82 109.99 17.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.775 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.835 0.35 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 m 41.06 84.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.921 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -70.43 131.47 44.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.701 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.752 HD11 HG22 ' B' ' 133' ' ' VAL . 0.1 OUTLIER -94.53 -166.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.087 -179.741 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.803 ' CD2' HD22 ' B' ' 89' ' ' LEU . 7.2 tp -144.29 -39.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.242 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.31 114.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.538 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.929 HG12 HG13 ' B' ' 116' ' ' VAL . 1.1 mt -57.41 -25.03 23.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.574 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -64.16 -47.22 80.71 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.191 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -34.35 49.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.752 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.803 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.02 -30.44 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.409 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 14.9 t80 -72.42 -50.21 28.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.91 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -28.13 69.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.598 178.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 46.6 m -65.07 -51.48 61.22 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.784 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.729 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -57.71 -38.7 75.7 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.024 0.44 . . . . 0.0 109.976 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.425 ' HE3' HD22 ' B' ' 113' ' ' LEU . 0.6 OUTLIER -59.47 -41.66 90.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.772 179.316 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -67.36 -51.26 54.33 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.673 HG23 HD21 ' C' ' 23' ' ' LEU . 13.9 mt -51.23 -46.92 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.19 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.889 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.2 OUTLIER -57.82 -49.8 75.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.223 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.72 -3.12 49.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.038 0.446 . . . . 0.0 110.552 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.3 m -97.8 -33.15 11.37 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.451 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.92 HD21 HD23 ' C' ' 23' ' ' LEU . 44.9 mt -88.78 -48.29 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.396 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.94 41.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.404 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.47 16.48 26.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.997 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.52 -71.29 0.09 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.716 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -33.96 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 109.953 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.846 ' O ' HD12 ' B' ' 109' ' ' ILE . 6.8 p -67.78 -39.87 84.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.35 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.413 ' H ' ' HG2' ' B' ' 106' ' ' GLN . 2.2 mm100 -60.28 -38.49 83.73 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.137 0.494 . . . . 0.0 110.023 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.7 -41.49 87.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.007 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.788 ' HB3' HG13 ' C' ' 15' ' ' VAL . 20.1 m-20 -70.26 -43.28 70.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.625 0.726 . . . . 0.0 109.046 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.889 HD13 ' HA ' ' B' ' 97' ' ' GLN . 4.0 mt -58.88 -48.94 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.268 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.582 ' HA ' HD12 ' B' ' 113' ' ' LEU . 54.8 m -56.85 -34.52 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.896 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.694 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.68 -51.42 68.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.68 178.879 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.897 HD22 HG13 ' C' ' 12' ' ' VAL . 1.8 mt -63.67 -41.71 98.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.374 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.652 ' CD1' HG22 ' B' ' 109' ' ' ILE . 4.9 mt -58.14 -39.48 78.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.675 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -61.57 -52.01 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.289 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.789 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.0 OUTLIER -60.89 -49.15 78.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.345 0.593 . . . . 0.0 109.909 179.067 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.929 HG13 HG12 ' B' ' 86' ' ' ILE . 98.8 t -56.61 -33.48 39.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.383 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 47.5 mt-30 -93.65 -8.16 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.42 137.94 58.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.659 0.266 . . . . 0.0 110.429 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' LYS . . . . . 0.458 ' O ' ' ND2' ' B' ' 123' ' ' ASN . 1.1 mmtp -59.18 -59.38 5.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.386 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -46.05 91.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.829 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.0 t80 -57.83 -50.97 71.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.689 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.03 -36.78 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.234 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.593 ' O ' HG13 ' B' ' 127' ' ' ILE . 58.7 m-80 -63.58 -51.67 64.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.005 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.628 ' HB2' HE21 ' C' ' 54' ' ' GLN . . . -56.73 -49.52 74.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.0 0.429 . . . . 0.0 111.337 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.622 ' CG ' HD12 ' B' ' 86' ' ' ILE . 9.8 t80 -55.54 -38.55 69.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.813 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -31.58 71.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.706 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.972 HD11 HD11 ' D' ' 127' ' ' ILE . 5.5 mt -63.41 -49.72 81.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.041 0.448 . . . . 0.0 110.39 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.776 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.7 t-80 -66.69 -38.79 87.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.951 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.867 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.5 OUTLIER -55.3 -60.49 3.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.175 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 130' ' ' ALA . . . . . 0.766 ' HB1' ' CD ' ' D' ' 119' ' ' LYS . . . -65.45 -49.3 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 0.0 111.744 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.947 HG21 HG21 ' A' ' 57' ' ' ILE . 62.8 mt -57.65 -42.24 81.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.262 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.776 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -60.4 -45.44 93.59 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.251 0.548 . . . . 0.0 109.558 179.043 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 129' ' ' ASN . 60.3 t -56.93 -51.2 71.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.482 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.54 -30.79 71.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.245 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 14.8 ttm -56.05 -59.7 4.54 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.966 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -71.0 -35.15 71.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.66 -66.7 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 60.75 69.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.926 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.524 0.202 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.68 -54.83 2.49 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.413 2.075 . . . . 0.0 112.101 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.45 -34.1 56.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.262 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.77 92.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.846 ' O ' HG23 ' C' ' 12' ' ' VAL . 2.6 mt-10 -63.12 -48.4 78.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.798 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.463 ' HG2' HD22 ' C' ' 42' ' ' LEU . 0.1 OUTLIER -51.64 -42.5 62.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.1 tpt -61.7 -52.41 64.42 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.753 ' O ' HG23 ' C' ' 15' ' ' VAL . 27.6 tp60 -59.74 -31.43 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.649 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.897 HG13 HD22 ' B' ' 112' ' ' LEU . 70.6 t -63.01 -46.64 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.474 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.717 ' HA ' HD12 ' C' ' 16' ' ' LEU . 14.6 mt -58.31 -46.82 85.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.058 0.456 . . . . 0.0 109.904 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -65.1 -28.5 69.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.483 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.788 HG13 ' HB3' ' B' ' 108' ' ' ASP . 21.3 t -74.21 -37.18 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.053 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' C' ' 13' ' ' LEU . 17.5 mt -64.53 -39.69 94.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.782 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.35 -45.02 66.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.03 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -61.14 -54.54 43.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.09 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 81.6 mt -53.63 -56.56 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.966 0.412 . . . . 0.0 110.15 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.636 ' CB ' HD12 ' C' ' 35' ' ' LEU . 5.6 tmm_? -48.77 -38.94 23.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.238 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.22 -47.03 93.19 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.117 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.749 ' HB3' HD22 ' B' ' 100' ' ' LEU . 0.4 OUTLIER -62.6 -36.9 84.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.494 0.188 . . . . 0.0 111.376 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.92 HD23 HD21 ' B' ' 100' ' ' LEU . 15.9 mt -64.86 -50.32 67.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 110.502 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.402 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.2 OUTLIER -59.71 -27.66 66.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.279 179.368 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -82.5 -32.61 28.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.678 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -83.64 -28.98 28.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.277 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.35 19.93 5.67 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.365 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 21.3 m-20 -109.15 76.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 0.0 110.167 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.402 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -89.95 10.17 24.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.32 179.659 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 89.5 m -78.51 -56.1 4.7 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.362 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.514 ' HB3' HD11 ' B' ' 96' ' ' ILE . 10.3 mp0 -70.14 -20.86 63.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.585 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ASN . . . . . 0.409 ' ND2' ' HG2' ' C' ' 20' ' ' ARG . 0.5 OUTLIER -44.07 -52.69 6.98 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.12 179.753 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -56.83 -32.79 66.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.517 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -66.35 -40.55 89.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.396 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.647 ' N ' HD23 ' C' ' 35' ' ' LEU . 2.0 mt -68.56 -33.33 73.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.412 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -31.51 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.876 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.678 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -75.0 -44.61 47.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.553 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.737 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 3.7 t80 -69.75 -44.59 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.459 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.588 ' CA ' HD13 ' C' ' 16' ' ' LEU . 2.0 t80 -59.8 -53.18 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.053 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.76 -52.08 66.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.001 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.455 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 92.7 m -57.45 -36.14 71.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.849 0.357 . . . . 0.0 110.532 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.737 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 2.1 mt -63.65 -34.0 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.17 0.51 . . . . 0.0 109.948 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.455 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 22.1 mtpt -84.25 -29.78 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.666 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 44' ' ' SER . . . . . 0.429 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 31.2 t -44.35 135.63 4.26 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.395 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 45' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 25.1 Cg_exo -61.72 -48.18 9.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.468 2.112 . . . . 0.0 112.017 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.579 HD13 HG12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.83 -55.06 39.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.551 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.607 ' CE1' HD21 ' C' ' 51' ' ' LEU . 16.4 t80 -56.77 -46.83 81.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.624 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -55.97 -36.95 68.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.592 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -63.75 -41.19 98.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.895 HG12 HD21 ' A' ' 53' ' ' LEU . 26.4 mt -60.85 -47.16 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.609 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -67.63 -34.64 77.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.243 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -53.85 -54.02 44.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.993 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.853 HD21 HG12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -58.3 -46.27 86.41 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.602 178.758 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.628 HE21 ' HB2' ' B' ' 124' ' ' ALA . 4.3 mt-30 -60.17 -31.25 69.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.911 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -41.68 99.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.651 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -60.77 -43.77 97.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.459 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.768 ' HA ' HD12 ' C' ' 60' ' ' LEU . 5.7 mt -61.41 -34.64 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.825 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -43.34 95.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.614 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -42.17 95.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.102 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.0 OUTLIER -51.83 -54.8 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.507 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.844 ' HE3' HG23 ' D' ' 131' ' ' ILE . 0.0 OUTLIER -60.65 -30.52 69.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.036 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.17 5.85 61.37 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 113.378 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.22 21.88 0.75 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 117.203 0.501 . . . . 0.0 111.608 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mt -79.35 129.15 34.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.691 0.281 . . . . 0.0 110.663 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 -179.884 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 15.6 m 41.84 61.41 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.662 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 123.71 16.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.76 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.808 HD11 HG22 ' D' ' 133' ' ' VAL . 0.1 OUTLIER -94.54 -164.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 0.79 ' CD2' HD22 ' D' ' 89' ' ' LEU . 14.2 tp -139.55 -41.6 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.446 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.85 110.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.2 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.918 HG12 HG13 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -55.36 -25.69 17.67 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.768 -179.063 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.53 -47.23 82.49 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.075 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -33.6 54.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.683 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.79 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -72.15 -30.01 64.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.271 179.396 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.564 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 8.3 t80 -72.38 -50.31 27.49 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.941 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -62.94 -28.77 70.3 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 35.3 m -63.24 -53.22 56.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.722 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.797 ' HA ' HD12 ' D' ' 96' ' ' ILE . 0.8 OUTLIER -58.18 -37.29 74.46 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 94' ' ' LYS . . . . . 0.433 ' HE2' ' CE1' ' D' ' 90' ' ' PHE . 0.6 OUTLIER -59.52 -37.2 77.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 95' ' ' HIS . . . . . 0.447 ' CE1' ' OE1' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -72.36 -48.54 40.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.107 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' D' ' 93' ' ' LEU . 12.0 mt -55.41 -43.12 70.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.612 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.858 ' HA ' HD13 ' D' ' 109' ' ' ILE . 12.7 pt20 -63.13 -43.5 98.21 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.557 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 98' ' ' HIS . . . . . 0.418 ' N ' ' HG3' ' D' ' 97' ' ' GLN . 2.4 m80 -86.02 -0.89 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.451 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 99' ' ' THR . . . . . 0.433 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.6 m -102.61 -32.64 9.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.495 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.915 HD12 HD11 ' D' ' 109' ' ' ILE . 78.4 mt -90.97 -48.75 6.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.288 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.53 34.98 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.654 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.81 19.18 11.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.928 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.93 -70.15 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -32.94 70.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.101 0.476 . . . . 0.0 109.971 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.801 ' O ' HD12 ' D' ' 109' ' ' ILE . 90.9 p -70.05 -40.05 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.622 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -62.92 -34.74 78.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 110.359 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.89 -40.75 72.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.427 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.825 ' HB3' HG13 ' A' ' 15' ' ' VAL . 15.2 m-20 -70.93 -40.96 71.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.753 0.787 . . . . 0.0 109.119 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.915 HD11 HD12 ' D' ' 100' ' ' LEU . 5.3 mt -62.38 -49.52 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.551 178.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.636 ' HA ' HD12 ' D' ' 113' ' ' LEU . 12.3 t -55.96 -37.94 69.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.306 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.568 HD23 HD23 ' D' ' 112' ' ' LEU . 7.0 tt -56.92 -50.25 73.13 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.844 ' O ' HG23 ' D' ' 116' ' ' VAL . 4.0 mt -61.49 -43.83 98.17 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' D' ' 110' ' ' SER . 5.1 mt -55.5 -39.25 70.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.346 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.83 -52.1 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.398 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.61 ' CD2' HG21 ' A' ' 12' ' ' VAL . 2.8 mp -59.53 -49.38 78.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.351 0.596 . . . . 0.0 109.945 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.918 HG13 HG12 ' D' ' 86' ' ' ILE . 61.8 t -55.45 -36.99 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.676 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.468 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 53.9 mt-30 -89.18 -10.3 47.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 118' ' ' ASN . . . . . 0.443 HD21 ' HA ' ' D' ' 118' ' ' ASN . 0.1 OUTLIER -61.25 127.59 32.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 0.0 110.48 179.56 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 119' ' ' LYS . . . . . 0.766 ' CD ' ' HB1' ' B' ' 130' ' ' ALA . 0.4 OUTLIER -52.23 -58.95 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.532 -179.313 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.52 -47.47 85.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.0 t80 -55.93 -51.87 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.753 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -38.85 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.995 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 123' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -59.99 -48.65 80.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.921 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -58.77 -49.22 78.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.015 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.647 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 2.9 t80 -60.31 -40.34 90.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.463 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -35.68 81.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.626 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 0.972 HD11 HD11 ' B' ' 127' ' ' ILE . 10.6 mt -64.06 -49.63 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.01 0.433 . . . . 0.0 110.444 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.686 ' O ' ' HB ' ' D' ' 132' ' ' THR . 20.2 t-80 -63.18 -45.63 90.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.317 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.882 ' O ' HG23 ' D' ' 133' ' ' VAL . 25.6 t-20 -55.31 -60.81 2.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.67 -52.0 65.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.844 HG23 ' HE3' ' C' ' 61' ' ' LYS . 52.8 mt -56.11 -40.78 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.357 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.686 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -60.67 -43.96 97.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.263 0.554 . . . . 0.0 109.565 178.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.882 HG23 ' O ' ' D' ' 129' ' ' ASN . 50.5 t -55.65 -51.66 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.542 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -64.02 -30.71 71.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.107 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.2 ttm -54.66 -62.05 1.91 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -62.18 -39.21 91.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.006 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -66.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 60.76 155.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.098 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.334 -0.841 . . . . 0.0 111.016 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.595 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.676 0.274 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.74 -28.91 59.79 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.588 2.192 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.12 -35.88 81.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.96 -35.25 76.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.737 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.5 mm-40 -67.86 -53.39 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.3 tttt -53.76 -43.35 69.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 mmt -60.64 -44.5 96.32 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.508 ' NE2' HG23 ' A' ' 15' ' ' VAL . 25.1 tp60 -68.23 -31.37 70.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.662 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.746 HG21 ' CD2' ' D' ' 115' ' ' LEU . 60.8 t -62.69 -56.34 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.637 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.86 ' HA ' HD12 ' A' ' 16' ' ' LEU . 20.7 mt -55.49 -42.6 74.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.046 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -69.63 -28.24 65.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.555 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.817 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.1 t -73.66 -37.02 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.942 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 13' ' ' LEU . 10.7 mt -64.75 -45.19 87.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.992 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -67.67 -39.26 84.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.777 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -53.21 18.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.649 HD12 HD11 ' D' ' 112' ' ' LEU . 35.8 mt -52.28 -57.8 8.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.045 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.839 ' CB ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -56.88 -37.85 71.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.258 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 24' ' ' GLN . . . -57.43 -44.4 93.64 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.544 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.619 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.7 OUTLIER -62.72 -41.1 98.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.2 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.653 HD21 HG23 ' D' ' 96' ' ' ILE . 23.4 mt -62.96 -50.43 70.82 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.681 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -54.47 -31.16 55.18 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.271 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.481 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 1.1 mm-40 -83.38 -32.11 26.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.886 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 22' ' ' LYS . 7.5 mttt -73.67 -31.8 63.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.991 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.37 6.47 9.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.288 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -110.94 82.97 1.68 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.947 0.404 . . . . 0.0 110.051 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.55 HG22 ' ND2' ' A' ' 32' ' ' ASN . 0.2 OUTLIER -95.61 32.26 1.86 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.282 0.563 . . . . 0.0 109.637 179.701 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.3 m -101.09 -40.5 7.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.466 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.647 ' HB3' HD11 ' D' ' 96' ' ' ILE . 3.2 mm-40 -72.36 -26.16 61.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.583 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.55 ' ND2' HG22 ' A' ' 29' ' ' THR . 33.6 p-10 -47.98 -46.32 32.48 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -32.89 66.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.061 0.458 . . . . 0.0 110.007 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -75.85 -44.64 39.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.876 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.839 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.3 mt -63.4 -31.45 72.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.128 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.4 m -77.09 -32.59 56.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.636 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.785 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.98 -48.07 55.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.436 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 4.5 t80 -66.72 -46.37 75.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.343 0.592 . . . . 0.0 109.843 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.66 ' CA ' HD13 ' A' ' 16' ' ' LEU . 11.4 t80 -58.04 -53.42 58.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.792 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.82 -52.07 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.644 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.3 m -57.05 -33.01 66.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.326 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.696 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -65.12 -36.02 82.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.993 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.834 ' HE2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.96 -29.77 64.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.779 179.597 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.6 t -45.42 125.9 6.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.443 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -60.5 -46.69 16.49 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.28 1.987 . . . . 0.0 111.718 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.659 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.2 OUTLIER -57.77 -53.09 62.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.325 179.708 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.92 ' CE1' HD21 ' A' ' 51' ' ' LEU . 12.6 t80 -58.19 -48.08 81.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.377 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -55.98 -37.08 68.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.57 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -61.61 -44.07 97.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.262 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.8 HG12 HD21 ' C' ' 53' ' ' LEU . 6.9 mt -58.61 -43.09 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.796 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.92 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -68.67 -36.93 79.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.8 m -53.66 -50.66 65.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.1 0.476 . . . . 0.0 110.014 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.818 HD21 HG12 ' C' ' 50' ' ' ILE . 0.6 OUTLIER -60.71 -45.85 92.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.705 178.778 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.624 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 3.9 mt-30 -60.65 -32.88 72.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.401 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -63.63 -40.53 97.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 t -60.77 -43.15 98.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.455 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.962 HG21 HG21 ' B' ' 131' ' ' ILE . 7.7 mt -61.58 -36.86 75.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.044 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -60.53 -38.58 84.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.742 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -63.94 -40.5 96.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.99 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -55.42 -49.06 73.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.671 179.335 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -59.73 -49.07 79.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.93 -38.36 95.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.621 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -54.79 22.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.878 0.37 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.33 87.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.728 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.671 0.272 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 26.8 m -145.43 35.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 111.263 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.88 135.37 46.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.636 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.857 HD11 HG22 ' B' ' 133' ' ' VAL . 0.2 OUTLIER -91.73 -165.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.84 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 1.004 HD13 ' HB3' ' C' ' 37' ' ' ALA . 69.6 tp -141.38 -45.0 0.37 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.832 0.348 . . . . 0.0 111.541 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.06 100.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.087 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.794 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -49.88 -27.51 3.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.578 -179.4 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.01 -46.09 89.29 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.276 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -77.15 -36.54 55.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.129 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.75 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.43 -29.7 63.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.607 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.46 -46.82 53.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.132 0.492 . . . . 0.0 109.849 179.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 59.7 m -61.51 -34.01 74.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.678 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' SER . . . . . 0.811 ' C ' HD12 ' B' ' 96' ' ' ILE . 0.6 OUTLIER -62.31 -53.5 54.16 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.631 179.485 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.742 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.6 OUTLIER -55.02 -35.65 64.65 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -45.37 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.571 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.429 ' CE1' ' HG1' ' B' ' 99' ' ' THR . 2.3 t60 -66.86 -55.66 13.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.811 HD12 ' C ' ' B' ' 92' ' ' SER . 4.1 mt -50.86 -33.55 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.19 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.608 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.5 OUTLIER -65.18 -48.68 72.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.94 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.22 -21.64 49.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.002 0.43 . . . . 0.0 110.419 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' THR . . . . . 0.429 ' HG1' ' CE1' ' B' ' 95' ' ' HIS . 1.4 m -84.67 -33.36 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.273 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.681 HD12 ' CG2' ' B' ' 96' ' ' ILE . 94.1 mt -108.48 79.96 1.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.79 38.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.122 -178.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.63 17.41 5.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.925 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' B' ' 106' ' ' GLN . 5.9 m 70.91 -68.2 0.22 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.783 0.325 . . . . 0.0 111.041 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -30.58 70.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.471 . . . . 0.0 109.828 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.686 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.2 OUTLIER -72.08 -47.01 54.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.748 179.52 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' B' ' 103' ' ' SER . 5.0 pt20 -61.65 -30.25 70.59 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.872 0.367 . . . . 0.0 110.232 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -71.18 -41.21 70.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.282 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.71 ' HB3' HG13 ' C' ' 15' ' ' VAL . 30.8 m-20 -70.27 -41.34 73.59 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.686 HD12 ' O ' ' B' ' 105' ' ' SER . 4.8 mt -60.23 -49.46 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.494 178.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.622 ' HA ' HD12 ' B' ' 113' ' ' LEU . 49.4 m -56.39 -34.41 66.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.605 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.502 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.69 -51.45 68.72 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.828 178.779 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.858 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.1 mt -62.82 -43.72 98.04 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' B' ' 110' ' ' SER . 5.5 mt -56.1 -40.76 74.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.782 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.97 -51.82 66.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.474 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.4 mp -60.13 -50.32 74.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.215 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.858 HG23 ' O ' ' B' ' 112' ' ' LEU . 43.3 t -59.37 -35.89 60.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.473 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -89.57 -6.38 56.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.664 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.05 151.62 42.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.553 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.12 -58.65 3.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.232 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' ASP . . . . . 0.493 ' OD2' HD13 ' D' ' 131' ' ' ILE . 0.8 OUTLIER -61.49 -47.35 86.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.961 -179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 9.8 t80 -55.59 -51.07 68.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.651 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 122' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 71.3 mt-30 -54.23 -41.19 68.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.429 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.5 OUTLIER -59.65 -49.66 76.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.9 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.11 -45.02 87.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.008 0.432 . . . . 0.0 110.965 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.509 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 1.9 t80 -59.91 -38.4 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 2.8 mmtt -65.08 -38.47 90.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.71 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 1.026 HD11 HD11 ' D' ' 127' ' ' ILE . 18.5 mt -60.83 -49.46 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.123 0.487 . . . . 0.0 110.465 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.717 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.5 t-80 -66.88 -28.68 68.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.904 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.4 t30 -64.67 -60.95 2.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.39 -50.78 62.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.962 HG21 HG21 ' A' ' 57' ' ' ILE . 64.8 mt -53.75 -41.59 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 121.25 -0.18 . . . . 0.0 111.191 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.717 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -61.81 -48.66 79.63 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.737 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 129' ' ' ASN . 39.8 t -55.61 -51.22 60.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.799 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -63.47 -30.85 71.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.271 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 15.9 ttm -56.66 -54.3 47.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.899 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -78.92 -34.85 44.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -72.56 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -80.41 76.56 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.878 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.764 0.316 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.21 -22.85 74.82 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.701 2.267 . . . . 0.0 112.423 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.94 -29.44 63.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.33 -43.19 92.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.001 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.768 ' O ' HG23 ' C' ' 12' ' ' VAL . 14.9 mt-10 -62.51 -54.39 40.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.5 tmmm? -59.1 -43.18 91.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.56 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.2 tpt -61.47 -49.2 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.495 ' NE2' HG23 ' C' ' 15' ' ' VAL . 30.3 tp60 -62.8 -33.19 74.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.74 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.768 HG23 ' O ' ' C' ' 8' ' ' GLU . 25.4 t -60.7 -56.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.509 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.652 HD21 HD22 ' C' ' 42' ' ' LEU . 15.6 mt -53.53 -42.4 67.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 110.365 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -28.4 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.739 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.823 ' CG1' HD21 ' B' ' 112' ' ' LEU . 3.2 t -75.13 -36.36 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.906 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.544 HD11 ' CD1' ' C' ' 42' ' ' LEU . 69.2 mt -64.29 -42.62 96.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -70.09 -44.93 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.979 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -54.52 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.269 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.755 HD12 HD11 ' B' ' 112' ' ' LEU . 65.9 mt -54.85 -56.99 13.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.429 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.74 ' HB3' HD12 ' C' ' 35' ' ' LEU . 0.2 OUTLIER -54.55 -30.29 53.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.764 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.21 -43.39 80.31 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.229 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.418 ' CB ' ' CD2' ' B' ' 100' ' ' LEU . 2.4 mmtp -59.39 -37.33 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 110.492 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.69 HD13 ' HB2' ' C' ' 31' ' ' GLN . 22.9 mt -66.37 -50.07 64.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.506 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.555 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -57.36 -27.3 62.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.324 179.405 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.75 -33.9 27.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.441 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -80.45 -30.65 37.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.403 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.56 20.96 3.75 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.684 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -116.44 81.89 1.7 Allowed 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.983 0.421 . . . . 0.0 110.05 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.555 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -90.12 8.67 31.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.394 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -86.74 -42.8 13.05 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.306 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.69 ' HB2' HD13 ' C' ' 23' ' ' LEU . 3.4 mp0 -72.41 -22.5 61.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.502 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.91 -38.18 75.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.452 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.74 -42.13 78.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.848 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.422 ' HG2' ' CB ' ' B' ' 92' ' ' SER . 0.0 OUTLIER -60.56 -55.07 37.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.048 178.885 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.1 mt -57.96 -33.7 69.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.422 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -77.12 -32.48 56.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.013 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 1.004 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.18 -42.05 66.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.431 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.729 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 7.4 t80 -71.72 -47.43 53.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.467 0.651 . . . . 0.0 109.769 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.472 ' CZ ' ' NZ ' ' C' ' 43' ' ' LYS . 80.7 t80 -53.55 -53.12 56.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.316 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.51 -52.31 65.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.971 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.817 HG22 ' CD2' ' C' ' 47' ' ' PHE . 86.6 m -59.66 -33.32 71.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 110.374 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.729 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 0.3 OUTLIER -62.67 -36.74 83.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.983 179.182 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.638 ' HE2' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -71.27 -33.32 69.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.408 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 27.9 m -45.95 124.66 6.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.162 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.46 -42.41 34.09 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.237 1.958 . . . . 0.0 111.5 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -57.82 -55.56 33.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.629 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.817 ' CD2' HG22 ' C' ' 41' ' ' THR . 10.6 t80 -60.89 -41.99 97.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.329 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -58.45 -34.99 71.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.343 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -67.48 -39.45 85.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.323 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.818 HG12 HD21 ' A' ' 53' ' ' LEU . 40.3 mt -59.73 -44.75 94.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.804 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.64 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -67.23 -36.81 82.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.329 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 73.4 m -53.99 -50.41 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.992 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.8 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -59.45 -46.31 89.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.894 178.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.482 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -60.46 -33.52 72.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.942 179.151 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -40.03 95.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.85 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.97 -48.0 83.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.739 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.902 HG21 HG21 ' D' ' 131' ' ' ILE . 6.5 mt -60.27 -35.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.048 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -61.7 -36.37 80.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.623 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.02 -39.87 90.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.775 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.8 OUTLIER -53.81 -55.11 29.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.389 179.265 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -63.23 -30.13 71.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.9 -67.54 1.65 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.78 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.43 -44.56 17.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.734 0.302 . . . . 0.0 111.365 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.36 -75.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.802 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 179.852 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.847 0.356 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 7.0 m 41.4 80.68 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.008 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 82' ' ' LYS . . . . . 0.427 ' C ' HD13 ' D' ' 83' ' ' ILE . 0.1 OUTLIER -88.62 145.4 25.7 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.858 179.64 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.762 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.0 OUTLIER -104.24 -165.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.121 0.486 . . . . 0.0 111.244 -179.778 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 0.822 ' CD2' HD22 ' D' ' 89' ' ' LEU . 9.5 tp -145.46 -32.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.354 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.36 109.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.741 0.305 . . . . 0.0 110.41 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.918 HG12 HG13 ' D' ' 116' ' ' VAL . 0.8 OUTLIER -55.99 -28.76 25.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.812 -179.315 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.11 -44.97 94.18 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.347 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -34.82 50.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.839 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.822 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -72.13 -29.67 64.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.37 179.287 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 13.6 t80 -72.29 -50.25 28.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.941 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 35.7 m -62.03 -30.17 70.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.642 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -62.77 -52.13 64.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.354 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.759 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.7 OUTLIER -57.24 -36.89 71.5 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.488 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -59.92 -38.46 82.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.826 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -50.47 32.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.653 HG23 HD21 ' A' ' 23' ' ' LEU . 10.2 mt -55.75 -39.72 57.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.09 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.899 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.72 -50.97 68.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.99 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -80.99 -1.37 43.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.541 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.5 m -100.7 -33.86 10.1 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.752 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.977 HD12 HD11 ' D' ' 109' ' ' ILE . 36.4 mt -87.91 -51.78 5.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.31 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.35 36.09 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.812 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 102' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.3 OUTLIER -99.84 23.17 10.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.765 179.661 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.73 -72.02 0.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.749 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 104' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -59.74 -31.27 69.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.032 0.444 . . . . 0.0 109.876 179.338 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.74 ' OG ' HD13 ' D' ' 100' ' ' LEU . 0.6 OUTLIER -69.86 -40.82 75.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.445 179.429 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -32.26 73.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.075 0.464 . . . . 0.0 110.129 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -71.05 -40.78 71.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.417 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.775 ' CG ' HG22 ' A' ' 15' ' ' VAL . 70.4 m-20 -70.65 -44.43 67.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.802 0.811 . . . . 0.0 108.813 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.977 HD11 HD12 ' D' ' 100' ' ' LEU . 6.3 mt -60.43 -49.07 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.73 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.656 ' HA ' HD12 ' D' ' 113' ' ' LEU . 7.8 m -57.56 -34.06 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.353 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.65 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -59.39 -51.42 70.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.1 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.882 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.9 mt -61.67 -43.34 99.05 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' D' ' 110' ' ' SER . 6.1 mt -55.22 -50.3 69.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.489 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 114' ' ' GLN . . . . . 0.414 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 6.8 mt-30 -61.32 -44.26 97.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.396 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.746 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.6 mp -60.11 -37.98 81.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.966 179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.918 HG13 HG12 ' D' ' 86' ' ' ILE . 83.2 t -69.24 -53.73 23.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.625 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -63.21 -18.89 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.793 -179.326 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 118' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' D' ' 115' ' ' LEU . 2.6 m120 -53.15 114.3 1.42 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.789 0.328 . . . . 0.0 110.534 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 119' ' ' LYS . . . . . 0.488 ' HG2' ' N ' ' D' ' 120' ' ' ASP . 0.0 OUTLIER -47.99 -47.51 33.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.934 -179.143 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 120' ' ' ASP . . . . . 0.488 ' N ' ' HG2' ' D' ' 119' ' ' LYS . 0.9 OUTLIER -65.94 -50.66 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.111 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 2.9 t80 -59.58 -44.86 93.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.03 0.443 . . . . 0.0 110.288 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 122' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 7.9 tt0 -55.96 -41.7 75.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.235 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.476 ' HB3' HG12 ' B' ' 127' ' ' ILE . 21.9 m120 -64.81 -42.46 94.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.766 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.867 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -57.55 -49.23 77.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.086 0.47 . . . . 0.0 110.864 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.562 ' CG ' HD12 ' D' ' 86' ' ' ILE . 11.4 t80 -59.37 -37.44 77.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.988 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 126' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 5.7 mmpt? -63.92 -36.22 83.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.665 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 1.026 HD11 HD11 ' B' ' 127' ' ' ILE . 15.4 mt -64.66 -49.37 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.656 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.645 ' O ' ' HB ' ' D' ' 132' ' ' THR . 21.0 t-80 -64.08 -50.16 69.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.805 ' O ' HG23 ' D' ' 133' ' ' VAL . 63.1 t-20 -55.59 -58.7 6.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.723 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.75 -52.16 66.9 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.902 HG21 HG21 ' C' ' 57' ' ' ILE . 60.9 mt -59.59 -43.41 90.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.234 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.762 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -62.62 -46.69 87.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.106 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.805 HG23 ' O ' ' D' ' 129' ' ' ASN . 92.0 t -58.08 -48.05 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.096 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -63.16 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.011 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 4.9 ttm -59.41 -45.95 90.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.349 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -66.57 -41.36 88.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.778 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -58.97 6.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.53 124.23 22.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.875 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.484 0.183 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.25 -27.81 55.93 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.452 2.102 . . . . 0.0 112.42 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.4 64.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.93 -36.25 70.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.709 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.0 mt-10 -64.75 -56.83 11.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.2 tmmm? -61.06 -43.82 98.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.603 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 tpt -61.6 -46.91 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.507 ' O ' HG23 ' A' ' 15' ' ' VAL . 28.6 tp60 -62.73 -38.76 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 8' ' ' GLU . 17.7 t -54.92 -54.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.524 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.791 ' HA ' HD12 ' A' ' 16' ' ' LEU . 14.5 mt -53.93 -45.11 71.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.287 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -28.72 68.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.979 178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.761 HG13 ' HB3' ' D' ' 108' ' ' ASP . 10.7 t -73.31 -37.73 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.895 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 13' ' ' LEU . 12.3 mt -64.3 -43.14 95.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.138 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -72.18 -33.08 67.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -53.66 13.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.713 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.705 HD12 HD11 ' D' ' 112' ' ' LEU . 85.4 mt -55.44 -57.19 12.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 0.0 110.622 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.837 ' HA ' HD12 ' A' ' 23' ' ' LEU . 2.1 ppt_? -56.24 -35.07 66.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.823 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 24' ' ' GLN . . . -61.68 -43.82 98.74 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.489 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.638 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.0 OUTLIER -64.33 -34.88 79.17 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.283 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 20' ' ' ARG . 14.8 mt -68.57 -50.09 54.48 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.275 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -57.76 -26.99 62.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.188 179.437 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 4.2 mm-40 -82.51 -32.09 28.91 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.165 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.1 OUTLIER -77.19 -39.03 50.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.08 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.79 -4.3 5.75 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.721 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.496 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 86.1 m-20 -100.49 80.06 2.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.327 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.73 5.91 33.97 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.144 0.497 . . . . 0.0 110.005 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.9 m -69.05 -54.18 16.46 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.45 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' HB3' HD11 ' D' ' 96' ' ' ILE . 17.8 mp0 -71.63 -23.99 61.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.144 179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -54.23 -46.36 72.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.346 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -32.83 66.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.176 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.495 ' O ' HD13 ' D' ' 84' ' ' LEU . 4.3 mmmm -66.03 -47.45 74.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.212 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.694 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.2 mt -61.46 -30.9 70.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.489 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -76.53 -31.88 57.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.868 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.9 -48.56 44.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.485 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.948 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 5.5 t80 -69.15 -40.71 78.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.194 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.639 ' HA ' HD13 ' A' ' 16' ' ' LEU . 2.0 t80 -58.9 -53.38 59.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.776 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -59.32 -38.71 80.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.557 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.543 HG22 ' CZ ' ' A' ' 47' ' ' PHE . 91.7 m -63.08 -45.85 90.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.514 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.948 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 6.2 mt -60.2 -32.58 71.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.207 0.527 . . . . 0.0 110.396 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.461 ' CD ' ' CE1' ' A' ' 39' ' ' TYR . 23.0 mtpt -77.63 -29.9 52.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.663 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 47' ' ' PHE . 49.2 m -45.43 142.21 3.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.329 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -62.52 -64.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.54 2.16 . . . . 0.0 112.87 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.9 HD13 HG12 ' C' ' 57' ' ' ILE . 0.3 OUTLIER -57.35 -34.36 68.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.722 -179.783 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.543 ' CZ ' HG22 ' A' ' 41' ' ' THR . 31.9 t80 -63.28 -47.35 82.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.115 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -55.55 -35.56 65.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.903 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -64.65 -40.17 94.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.289 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.741 HG12 HD21 ' C' ' 53' ' ' LEU . 1.9 mt -62.98 -44.67 99.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.752 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.562 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -70.68 -43.2 69.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.55 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.8 m -54.92 -45.87 74.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.39 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.803 HD21 HG12 ' C' ' 50' ' ' ILE . 1.1 tt -62.29 -47.71 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.287 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.628 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.3 OUTLIER -58.72 -42.57 89.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.752 179.521 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.95 -33.3 74.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.396 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.77 -42.31 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.764 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.718 HG21 HG21 ' B' ' 131' ' ' ILE . 2.4 mt -61.15 -44.0 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.152 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -55.13 -44.32 74.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.259 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -58.92 -41.12 86.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.093 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.683 HD13 HD21 ' C' ' 46' ' ' LEU . 1.6 mt -61.54 -41.46 97.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.615 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HZ3' HG23 ' B' ' 131' ' ' ILE . 0.1 OUTLIER -59.27 -43.3 92.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.983 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.86 -30.46 38.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.52 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -68.9 -46.09 69.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.735 0.302 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.5 mt -59.18 115.39 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.822 0.344 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.525 HG12 ' OG1' ' B' ' 132' ' ' THR . 2.9 m 40.72 56.28 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.894 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.82 92.53 3.97 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.148 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.939 HG21 ' HA ' ' B' ' 129' ' ' ASN . 0.2 OUTLIER -84.85 -172.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.033 -179.713 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' B' ' 89' ' ' LEU . 2.2 pt? -165.95 21.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.562 ' O ' ' O ' ' B' ' 84' ' ' LEU . 2.1 mm-40 44.44 113.16 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.95 0.405 . . . . 0.0 111.869 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.93 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -51.51 -27.42 7.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -42.25 99.2 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.059 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.79 -40.61 40.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.701 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.765 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.2 OUTLIER -73.16 -28.18 62.08 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.639 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 18.6 t80 -69.37 -48.26 61.81 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 25.0 t -64.38 -29.34 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -50.62 68.38 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.522 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.805 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.7 OUTLIER -59.15 -37.82 78.23 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.89 0.376 . . . . 0.0 110.029 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.71 -38.87 82.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.839 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.416 ' CE1' ' OD2' ' C' ' 28' ' ' ASP . 0.1 OUTLIER -72.06 -46.28 57.54 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.284 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.805 HD12 ' HA ' ' B' ' 93' ' ' LEU . 19.4 mt -54.63 -44.81 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.863 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.933 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -58.42 -48.47 80.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.505 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.24 -0.96 51.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.015 0.436 . . . . 0.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' THR . . . . . 0.494 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 2.8 m -100.42 -31.24 11.4 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.427 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.706 HD12 HD11 ' B' ' 109' ' ' ILE . 26.3 mt -92.51 -49.7 5.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.212 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.85 34.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.716 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' B' ' 104' ' ' GLN . 11.1 m-20 -96.96 19.93 11.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.79 -70.85 0.1 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.65 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -59.42 -29.16 67.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.041 0.448 . . . . 0.0 110.013 179.202 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.825 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -70.7 -42.94 69.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.642 179.505 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -62.08 -35.73 79.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.402 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.75 -40.93 75.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.724 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.783 ' CG ' HG22 ' C' ' 15' ' ' VAL . 50.1 m-20 -70.56 -43.17 70.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.768 0.794 . . . . 0.0 108.951 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.933 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.0 mt -59.7 -49.13 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.504 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.584 ' HA ' HD12 ' B' ' 113' ' ' LEU . 6.0 t -56.07 -35.69 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.913 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.728 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.67 -51.33 69.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.958 178.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.814 HD21 ' CG1' ' C' ' 15' ' ' VAL . 1.6 mt -63.51 -39.51 94.61 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.639 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.2 mt -60.31 -39.63 87.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.441 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -52.33 64.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.568 ' CD2' HG21 ' C' ' 12' ' ' VAL . 0.8 OUTLIER -60.98 -50.62 72.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.276 0.56 . . . . 0.0 109.8 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.93 HG13 HG12 ' B' ' 86' ' ' ILE . 73.9 t -53.7 -36.04 28.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.513 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 53.0 mt-30 -90.91 -9.97 44.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.32 130.21 45.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.782 0.325 . . . . 0.0 110.418 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -58.91 4.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.653 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.75 -49.8 73.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.189 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.491 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.4 t80 -55.46 -56.1 24.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.34 . . . . 0.0 110.679 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -51.67 -37.12 49.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.492 ' HB3' HG12 ' D' ' 127' ' ' ILE . 3.7 m-20 -62.04 -51.86 66.3 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.771 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.592 ' HB2' ' NE2' ' C' ' 54' ' ' GLN . . . -56.89 -49.31 75.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.241 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.607 ' HB3' HD12 ' B' ' 86' ' ' ILE . 40.1 t80 -53.06 -39.91 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.14 -37.26 80.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.57 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.694 ' CD1' HD11 ' D' ' 127' ' ' ILE . 14.8 mt -67.26 -49.91 67.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.003 0.43 . . . . 0.0 110.646 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.781 ' O ' ' HB ' ' B' ' 132' ' ' THR . 39.8 t60 -68.59 -27.71 66.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.905 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.939 ' HA ' HG21 ' B' ' 83' ' ' ILE . 0.9 OUTLIER -67.43 -60.86 2.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.222 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.57 -49.34 71.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.718 HG21 HG21 ' A' ' 57' ' ' ILE . 62.7 mt -56.74 -43.1 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.452 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.781 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.3 OUTLIER -61.21 -49.25 77.9 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.331 0.586 . . . . 0.0 109.56 179.022 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.928 HG23 ' O ' ' B' ' 129' ' ' ASN . 58.4 t -52.79 -48.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.385 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.9 -32.09 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.4 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 29.5 ttm -56.75 -57.25 13.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -76.57 -34.75 58.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -60.41 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -123.84 139.75 53.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 48.8 p . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.897 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 4' ' ' ASN . . . . . 0.4 ' HB3' ' HB3' ' C' ' 7' ' ' ALA . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.537 0.208 . . . . 0.0 110.92 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.27 -27.86 78.48 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.399 2.066 . . . . 0.0 112.371 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.65 -36.47 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' C' ' 4' ' ' ASN . . . -59.17 -32.02 69.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.844 ' O ' HG23 ' C' ' 12' ' ' VAL . 44.9 mt-10 -63.5 -54.51 35.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.701 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.486 ' HE2' HD11 ' C' ' 13' ' ' LEU . 1.3 tmtt? -54.74 -41.68 70.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.711 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.7 tpt -61.49 -47.76 84.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.121 0.486 . . . . 0.0 109.723 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.496 ' NE2' HG23 ' C' ' 15' ' ' VAL . 32.7 tp60 -65.36 -30.98 71.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.809 178.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.844 HG23 ' O ' ' C' ' 8' ' ' GLU . 74.2 t -62.55 -53.73 43.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.63 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.69 HD13 ' HE2' ' C' ' 43' ' ' LYS . 20.2 mt -56.64 -43.92 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.72 68.45 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.814 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.1 t -73.12 -38.61 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.837 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.665 HD21 ' HD2' ' C' ' 38' ' ' PHE . 19.7 mt -64.45 -35.39 80.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.533 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -43.9 69.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.845 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -63.65 -54.77 30.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.032 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.575 HD22 HD12 ' B' ' 100' ' ' LEU . 84.9 mt -53.19 -53.69 46.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.995 0.426 . . . . 0.0 110.265 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.447 ' HD2' ' CB ' ' C' ' 32' ' ' ASN . 0.6 OUTLIER -49.62 -42.44 44.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.947 179.577 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.62 93.03 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.108 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.528 ' HB3' HD22 ' B' ' 100' ' ' LEU . 12.9 mmtt -60.2 -40.23 89.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.696 0.284 . . . . 0.0 110.997 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.687 HD23 HD21 ' B' ' 100' ' ' LEU . 19.1 mt -61.88 -50.84 70.6 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 120.876 0.369 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.48 -26.64 66.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.163 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.22 -31.34 30.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.839 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.404 ' HE2' ' HA ' ' B' ' 100' ' ' LEU . 2.2 mptt -86.53 -34.78 19.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.441 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.32 -18.39 8.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.681 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 35.5 m-20 -70.96 76.61 0.65 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.99 0.424 . . . . 0.0 110.076 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.62 14.15 8.94 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.985 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 91.8 m -82.62 -35.97 26.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.647 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.561 ' HB2' HD13 ' C' ' 23' ' ' LEU . 0.6 OUTLIER -86.94 -26.41 23.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.336 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ASN . . . . . 0.447 ' CB ' ' HD2' ' C' ' 20' ' ' ARG . 2.4 m120 -45.96 -50.95 14.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.975 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -33.28 67.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.08 0.467 . . . . 0.0 110.178 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.435 ' O ' HD13 ' B' ' 84' ' ' LEU . 7.8 mmmm -68.17 -49.6 59.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.171 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.572 ' N ' HD23 ' C' ' 35' ' ' LEU . 2.2 mt -57.91 -29.46 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.803 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 39.9 m -73.58 -38.95 65.0 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.245 0.545 . . . . 0.0 109.793 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' B' ' 84' ' ' LEU . . . -69.51 -47.79 62.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.398 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.665 ' HD2' HD21 ' C' ' 16' ' ' LEU . 2.1 t80 -63.83 -37.01 85.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.002 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.481 ' HA ' HD13 ' C' ' 16' ' ' LEU . 87.7 t80 -70.15 -54.0 14.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.795 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.3 -50.53 71.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.568 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.721 HG22 ' CD2' ' C' ' 47' ' ' PHE . 91.4 m -53.09 -41.78 65.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.338 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.559 HD12 ' O ' ' C' ' 38' ' ' PHE . 0.3 OUTLIER -60.54 -37.09 80.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.876 179.224 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.69 ' HE2' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -75.07 -28.55 60.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.123 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.3 m -45.74 146.51 1.88 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.557 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.21 -48.04 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.598 2.199 . . . . 0.0 112.531 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.683 HD21 HD13 ' A' ' 60' ' ' LEU . 3.1 mm? -57.88 -55.49 34.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.721 ' CD2' HG22 ' C' ' 41' ' ' THR . 4.9 t80 -53.8 -46.58 71.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -55.63 -40.48 72.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.605 ' HB3' HD12 ' A' ' 53' ' ' LEU . 44.7 mt-30 -62.15 -41.96 98.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.1 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.803 HG12 HD21 ' A' ' 53' ' ' LEU . 25.7 mt -60.88 -53.0 55.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.758 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.703 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.5 OUTLIER -58.56 -38.23 77.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.261 179.663 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 85.5 m -53.58 -44.84 69.67 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.741 HD21 HG12 ' A' ' 50' ' ' ILE . 1.1 tp -61.67 -38.4 87.64 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.84 178.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.592 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 4.2 mm-40 -64.76 -38.52 91.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.891 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -59.23 -40.48 86.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.309 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -61.74 -53.31 57.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.19 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.9 HG12 HD13 ' A' ' 46' ' ' LEU . 29.3 mt -63.22 -34.83 69.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.49 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -42.46 99.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.048 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.99 -39.64 92.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.998 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.0 OUTLIER -54.89 -60.49 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.619 179.448 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.553 ' HA ' HD12 ' C' ' 64' ' ' LEU . 4.9 mtpt -59.37 -37.37 77.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.19 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.09 -13.74 80.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 113.154 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.82 -71.64 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.931 0.365 . . . . 0.0 111.42 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.697 HD12 ' O ' ' C' ' 60' ' ' LEU . 0.1 OUTLIER 55.69 166.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 111.161 -179.752 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 80' ' ' ALA . . . . . 0.403 ' C ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 N--CA 1.446 -0.649 0 CA-C-O 121.083 0.468 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 81' ' ' VAL . . . . . 0.47 HG23 ' O ' ' D' ' 81' ' ' VAL . 33.3 m -156.76 49.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.125 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -66.46 102.6 0.91 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.371 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.702 HG21 ' HA ' ' D' ' 129' ' ' ASN . 1.2 pt -109.4 178.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.494 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 0.681 HD23 ' HZ ' ' D' ' 125' ' ' PHE . 1.9 pt? -158.59 -2.32 0.09 Allowed 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 85' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.1 OUTLIER 58.89 143.16 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.983 0.42 . . . . 0.0 111.368 179.369 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.811 HG23 ' CG1' ' D' ' 116' ' ' VAL . 1.0 OUTLIER -70.37 -34.06 56.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.536 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -44.65 96.6 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.878 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.04 -40.95 52.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.808 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.75 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -73.28 -27.39 61.53 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.714 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.4 t80 -69.34 -48.17 62.2 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 9.8 m -64.62 -30.26 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 32.1 m -63.61 -51.64 64.36 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.637 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.783 ' HA ' HD12 ' D' ' 96' ' ' ILE . 0.9 OUTLIER -56.98 -39.22 74.22 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.68 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 94' ' ' LYS . . . . . 0.415 ' CE ' ' HA ' ' D' ' 94' ' ' LYS . 0.0 OUTLIER -59.32 -37.31 77.45 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 95' ' ' HIS . . . . . 0.439 ' CE1' ' OE1' ' A' ' 31' ' ' GLN . 0.5 OUTLIER -70.86 -51.44 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.108 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' D' ' 93' ' ' LEU . 10.6 mt -52.81 -39.95 33.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.895 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.881 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.63 -49.33 75.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.778 179.646 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -83.12 -1.24 52.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.551 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 99' ' ' THR . . . . . 0.403 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.6 m -101.2 -32.53 10.49 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.884 HD12 HD11 ' D' ' 109' ' ' ILE . 72.8 mt -92.24 -51.67 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.275 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.02 34.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.667 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -95.09 20.22 9.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.936 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 16.0 m 67.11 -70.16 0.12 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.103 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -33.45 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.19 0.519 . . . . 0.0 110.115 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.721 ' O ' HD12 ' D' ' 109' ' ' ILE . 87.7 p -70.7 -37.12 73.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.674 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -64.21 -37.41 87.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.389 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -39.72 75.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.29 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.761 ' HB3' HG13 ' A' ' 15' ' ' VAL . 5.6 m-20 -70.63 -41.79 71.75 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.884 HD11 HD12 ' D' ' 100' ' ' LEU . 5.8 mt -60.24 -49.34 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.089 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.573 ' HA ' HD12 ' D' ' 113' ' ' LEU . 11.9 p -56.12 -35.43 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.778 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.531 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.9 -51.18 70.13 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.964 178.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.829 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.3 mt -63.57 -41.58 98.37 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 178.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.669 ' CD1' HG22 ' D' ' 109' ' ' ILE . 4.8 mt -57.76 -42.11 83.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.786 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.91 -50.06 73.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.007 0.432 . . . . 0.0 110.546 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.483 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.7 mp -60.97 -51.89 67.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.006 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.829 HG23 ' O ' ' D' ' 112' ' ' LEU . 51.7 t -57.16 -30.19 34.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.65 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 32.4 mt-30 -94.62 -9.38 35.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.58 153.48 39.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.699 0.285 . . . . 0.0 110.361 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -59.07 2.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 111.362 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -48.35 81.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.935 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 7.5 t80 -55.97 -55.3 34.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.566 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 122' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 2.3 mt-30 -49.7 -37.79 30.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.472 ' HB3' ' CD1' ' B' ' 127' ' ' ILE . 30.0 m-20 -64.2 -42.92 96.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.187 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.628 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -60.86 -49.38 77.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.743 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.681 ' HZ ' HD23 ' D' ' 84' ' ' LEU . 10.5 t80 -65.12 -35.93 82.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.347 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 126' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 7.7 mmtm -62.56 -38.26 89.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.36 . . . . 0.0 110.677 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 0.694 HD11 ' CD1' ' B' ' 127' ' ' ILE . 56.4 mt -67.78 -49.67 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.69 ' O ' ' HB ' ' D' ' 132' ' ' THR . 23.7 t-80 -64.27 -47.3 80.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.877 ' O ' HG23 ' D' ' 133' ' ' VAL . 3.4 t30 -54.91 -60.61 3.13 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.78 -52.26 65.84 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.882 HG21 HG21 ' C' ' 57' ' ' ILE . 68.5 mt -56.91 -43.1 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.217 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.69 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -60.69 -46.83 88.87 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.089 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.877 HG23 ' O ' ' D' ' 129' ' ' ASN . 75.5 t -55.65 -43.71 74.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.599 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -63.31 -31.21 72.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.034 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 4.1 ttm -62.28 -49.62 74.95 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.514 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -62.64 -37.4 86.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.781 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -55.61 9.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -83.3 174.56 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.847 179.876 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.0 t30 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.542 0.21 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.08 -28.05 57.15 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.396 2.064 . . . . 0.0 112.424 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.93 -31.01 70.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.075 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.26 92.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.2 mm-40 -65.51 -39.19 91.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -62.23 -48.18 81.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.091 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.484 ' CE ' HD12 ' A' ' 13' ' ' LEU . 4.7 tpt -61.99 -45.05 95.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.676 ' NE2' HG21 ' A' ' 15' ' ' VAL . 6.4 tm0? -61.44 -35.44 77.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.536 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 8' ' ' GLU . 12.9 t -61.16 -47.61 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.547 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.716 ' HA ' HD12 ' A' ' 16' ' ' LEU . 13.9 mt -58.47 -44.55 89.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.263 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -66.1 -28.64 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.165 0.507 . . . . 0.0 109.763 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.81 ' CG1' HD21 ' D' ' 112' ' ' LEU . 3.2 t -73.61 -39.86 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.055 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.716 HD12 ' HA ' ' A' ' 13' ' ' LEU . 12.8 mt -62.72 -40.6 97.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.526 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.58 -42.63 64.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.863 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -61.23 -54.7 40.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.669 HD22 HD12 ' D' ' 100' ' ' LEU . 90.1 mt -53.58 -52.69 58.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.947 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.559 ' CA ' HD12 ' A' ' 35' ' ' LEU . 4.2 tmm_? -48.87 -46.43 42.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.149 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.91 -43.56 92.63 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.173 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.661 ' HB3' HD22 ' D' ' 100' ' ' LEU . 3.3 mttm -65.76 -32.06 73.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.579 0.228 . . . . 0.0 111.397 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.769 HD23 HD21 ' D' ' 100' ' ' LEU . 20.8 mt -71.21 -50.75 29.75 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.126 0.489 . . . . 0.0 110.675 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -26.81 67.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.173 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -82.85 -34.6 26.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.459 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 1.8 mptt -80.03 -29.96 39.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.391 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.0 21.59 3.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.46 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 39.4 m-20 -116.89 78.93 1.26 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.125 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.61 7.67 38.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.334 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.4 m -79.1 -53.58 6.86 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.162 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.652 ' HB3' HD11 ' D' ' 96' ' ' ILE . 3.3 mp0 -68.81 -13.37 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.483 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.519 ' ND2' ' CD ' ' A' ' 20' ' ' ARG . 1.6 m-20 -55.04 -47.7 74.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -39.71 74.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.068 0.461 . . . . 0.0 110.086 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -57.18 -55.04 39.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.287 179.11 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.699 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.4 mt -58.94 -33.25 70.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.194 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m -76.75 -33.29 58.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.173 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.069 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -74.18 -43.38 57.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.806 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.803 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 3.1 t80 -71.47 -45.08 63.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.196 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.667 ' HA ' HD13 ' A' ' 16' ' ' LEU . 49.3 t80 -55.35 -53.16 59.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.984 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.64 -48.38 81.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.456 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 95.2 m -57.24 -42.72 81.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.803 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 5.0 mt -60.87 -35.55 76.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.126 0.489 . . . . 0.0 110.206 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 18.3 mtpt -76.77 -32.66 57.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.402 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 34.1 t -42.58 128.48 2.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.553 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 32.5 Cg_exo -58.53 -53.49 3.94 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.478 2.119 . . . . 0.0 112.09 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.731 HD11 HD11 ' C' ' 57' ' ' ILE . 0.6 OUTLIER -57.93 -49.11 77.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.31 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.949 ' CE1' HD21 ' A' ' 51' ' ' LEU . 31.2 t80 -57.78 -44.85 86.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -55.92 -35.08 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.163 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -66.06 -40.72 91.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.153 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.698 HG12 HD21 ' C' ' 53' ' ' LEU . 3.3 mt -59.55 -47.08 92.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.571 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.949 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -65.11 -43.31 92.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.08 179.35 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.3 m -56.0 -35.03 66.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.27 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.853 HD21 HG12 ' C' ' 50' ' ' ILE . 0.6 OUTLIER -66.46 -51.03 61.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.043 179.347 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.756 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.1 OUTLIER -59.05 -42.35 90.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.165 179.318 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -34.6 73.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.173 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.512 ' O ' HD23 ' A' ' 60' ' ' LEU . 55.8 m -65.46 -39.47 92.03 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.918 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.655 ' CD1' HD11 ' C' ' 46' ' ' LEU . 3.0 mt -59.34 -46.2 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.092 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 5.4 mttt -63.91 -30.31 71.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.106 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -57.73 11.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.959 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.006 HD12 HD21 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -72.25 -27.51 62.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.049 0.452 . . . . 0.0 110.438 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . 24.3 mtmt -54.54 -39.76 68.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.995 0.426 . . . . 0.0 110.302 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.07 -31.14 12.41 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.834 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -132.69 51.88 2.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.808 0.337 . . . . 0.0 111.46 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.006 HD21 HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -66.31 -81.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.196 -179.777 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.775 0.322 . . . . 0.0 111.061 -179.702 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.737 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.977 0.417 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.737 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -174.72 49.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.113 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 143.33 29.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.819 HD11 HG22 ' B' ' 133' ' ' VAL . 0.1 OUTLIER -87.3 -160.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.636 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.819 ' CD2' HD22 ' B' ' 89' ' ' LEU . 4.9 tp -160.44 -37.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.701 0.286 . . . . 0.0 111.293 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.36 112.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.722 0.296 . . . . 0.0 110.538 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.896 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -54.74 -26.77 17.37 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.695 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -63.07 -49.83 72.98 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.161 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -33.39 60.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.157 0.503 . . . . 0.0 109.657 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.819 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.86 -30.02 65.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.391 179.526 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.1 t80 -71.62 -50.91 26.33 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.843 179.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 5.8 m -60.13 -31.85 70.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.665 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' SER . . . . . 0.815 ' O ' HD12 ' B' ' 96' ' ' ILE . 0.4 OUTLIER -61.35 -53.01 62.16 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.382 179.354 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.718 HD21 HD12 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -56.33 -35.31 67.45 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.387 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' B' ' 90' ' ' PHE . 11.2 mmmm -58.68 -44.83 90.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.704 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -66.64 -55.73 13.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.815 HD12 ' O ' ' B' ' 92' ' ' SER . 4.1 mt -51.19 -33.84 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.109 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.585 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -65.73 -49.39 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.801 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -77.1 -20.47 55.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.436 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -84.38 -35.44 23.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.072 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.676 HD12 HD11 ' B' ' 109' ' ' ILE . 85.3 mt -103.39 83.3 2.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.88 36.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.238 -178.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.72 16.34 10.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.034 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.41 ' HA ' ' HG3' ' B' ' 106' ' ' GLN . 1.1 t 69.03 -68.18 0.19 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.203 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -56.61 -37.62 70.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.03 0.443 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.775 ' O ' HD12 ' B' ' 109' ' ' ILE . 1.4 m -66.31 -38.14 87.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.738 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.41 ' HG3' ' HA ' ' B' ' 103' ' ' SER . 0.4 OUTLIER -63.93 -33.72 76.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.061 0.458 . . . . 0.0 110.072 179.536 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.14 -41.05 77.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.631 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.751 ' CG ' HG22 ' C' ' 15' ' ' VAL . 48.2 m-20 -70.3 -42.85 71.48 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.775 HD12 ' O ' ' B' ' 105' ' ' SER . 4.8 mt -59.91 -49.4 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.569 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.651 ' HA ' HD12 ' B' ' 113' ' ' LEU . 37.6 t -56.85 -34.44 67.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.795 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.635 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.68 -51.48 68.62 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.769 178.858 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.876 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.0 mt -62.76 -44.21 96.78 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' B' ' 110' ' ' SER . 8.1 mt -55.17 -40.9 71.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.807 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -61.9 -52.22 64.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.659 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' C' ' 12' ' ' VAL . 0.8 OUTLIER -61.15 -48.84 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.313 0.578 . . . . 0.0 110.077 179.377 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.896 HG13 HG12 ' B' ' 86' ' ' ILE . 52.2 t -58.39 -36.17 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.711 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 31.2 mt-30 -89.14 -9.93 49.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -62.1 134.68 56.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.831 0.348 . . . . 0.0 110.499 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -58.48 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.411 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.88 -50.1 75.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 111.039 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.1 t80 -55.77 -48.96 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.732 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.87 -38.17 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.462 ' O ' HG13 ' B' ' 127' ' ' ILE . 60.0 m-20 -66.56 -51.22 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.793 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -56.52 -49.15 75.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.39 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.615 ' CD1' HD12 ' B' ' 86' ' ' ILE . 12.0 t80 -58.65 -39.13 79.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.013 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -38.18 86.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.451 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 1.138 HD11 HD11 ' D' ' 127' ' ' ILE . 20.7 mt -62.32 -49.71 82.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.77 ' O ' ' HB ' ' B' ' 132' ' ' THR . 13.2 t-80 -65.06 -30.25 71.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.156 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.872 ' O ' HG23 ' B' ' 133' ' ' VAL . 35.1 t-20 -64.72 -61.31 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.12 -51.76 54.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.732 HD12 HG22 ' B' ' 127' ' ' ILE . 36.7 mt -53.87 -39.1 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.282 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.77 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.3 OUTLIER -63.81 -46.65 84.18 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.202 0.525 . . . . 0.0 109.603 178.672 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 129' ' ' ASN . 42.5 t -52.59 -48.19 47.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.68 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -31.04 72.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.983 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 135' ' ' MET . . . . . 0.408 ' HG3' ' HG2' ' A' ' 61' ' ' LYS . 23.9 ttm -57.7 -61.74 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.926 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -60.35 -39.76 88.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -60.34 -61.97 2.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.57 146.45 40.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.06 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.954 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.512 0.196 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.8 -27.89 85.97 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.506 2.137 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.62 -29.36 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.997 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.4 -37.48 75.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.844 ' O ' HG23 ' C' ' 12' ' ' VAL . 14.3 mt-10 -64.06 -58.07 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.733 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.828 ' HE2' HD11 ' C' ' 13' ' ' LEU . 2.1 tmtt? -58.4 -42.57 87.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.528 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -45.2 95.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.139 0.495 . . . . 0.0 109.682 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.534 ' NE2' HG23 ' C' ' 15' ' ' VAL . 30.4 tp60 -66.69 -33.17 75.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.595 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.844 HG23 ' O ' ' C' ' 8' ' ' GLU . 55.5 t -59.74 -55.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.573 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.905 ' HA ' HD12 ' C' ' 16' ' ' LEU . 19.7 mt -55.16 -45.4 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.042 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -28.31 68.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.593 178.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.776 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.2 t -74.24 -37.75 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.99 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.905 HD12 ' HA ' ' C' ' 13' ' ' LEU . 8.3 mt -64.09 -40.17 95.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -70.23 -42.0 72.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.56 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -64.28 -54.16 37.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.717 HD12 HD11 ' B' ' 112' ' ' LEU . 62.3 mt -53.89 -57.46 10.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.731 ' N ' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -55.78 -30.04 60.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.76 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.58 -44.89 91.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.913 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.414 ' HB3' ' CD2' ' B' ' 100' ' ' LEU . 6.8 mttm -62.93 -39.95 96.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.788 0.328 . . . . 0.0 110.661 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.63 HD21 HG23 ' B' ' 96' ' ' ILE . 27.3 mt -60.11 -50.45 73.63 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.471 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -60.46 -28.35 68.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.131 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.6 -31.98 28.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.677 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.87 -29.65 29.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.229 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.99 19.82 3.9 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.695 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -113.39 82.32 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.955 0.407 . . . . 0.0 110.115 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.471 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -95.2 30.26 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.841 179.716 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 20.5 m -102.97 -40.71 6.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.769 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.685 ' HB3' HD11 ' B' ' 96' ' ' ILE . 1.1 mm-40 -85.98 -25.22 26.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -50.36 -37.76 38.84 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.352 . . . . 0.0 110.795 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -65.29 -32.84 74.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.164 0.507 . . . . 0.0 110.028 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -70.84 -45.62 64.19 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.731 HD12 ' N ' ' C' ' 20' ' ' ARG . 1.4 mt -59.33 -32.71 70.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.149 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 48.8 m -75.67 -32.1 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.726 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.75 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -68.76 -48.23 64.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.405 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.768 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 3.8 t80 -68.08 -46.05 72.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.851 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.691 ' HA ' HD13 ' C' ' 16' ' ' LEU . 21.5 t80 -53.86 -53.42 52.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.113 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.0 -50.83 72.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.64 HG22 ' CD2' ' C' ' 47' ' ' PHE . 89.6 m -54.52 -36.97 64.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.466 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.768 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 3.4 mt -67.99 -29.53 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.166 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.781 ' HE2' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -71.29 -32.65 68.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.531 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 30.8 m -53.22 132.41 51.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.223 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.66 -32.16 12.27 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.529 2.152 . . . . 0.0 112.126 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.655 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -64.53 -55.3 21.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.116 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.779 ' CE1' HD21 ' C' ' 51' ' ' LEU . 11.7 t80 -55.81 -42.78 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.314 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -41.86 75.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.704 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.92 -41.52 96.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.479 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.853 HG12 HD21 ' A' ' 53' ' ' LEU . 9.4 mt -59.05 -46.3 91.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.899 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.779 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.14 -36.61 83.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.426 179.645 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.1 m -53.99 -50.26 66.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.179 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.698 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -60.38 -44.93 95.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.906 178.858 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.622 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -59.11 -33.9 71.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.072 179.249 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -37.61 85.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.099 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -60.38 -50.36 73.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.069 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.788 ' CG2' HG21 ' D' ' 131' ' ' ILE . 56.5 mt -59.91 -34.71 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.118 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -57.81 -43.84 85.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.062 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -63.32 -40.19 96.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.24 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' C' ' 57' ' ' ILE . 2.6 mt -53.79 -47.04 71.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.764 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.427 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 8.1 mtpt -61.8 -50.73 71.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.2 -26.57 58.97 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.569 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -44.41 13.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 110.809 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 66.3 mt -70.07 126.99 31.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 80' ' ' ALA . . . . . 0.733 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.746 0.308 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 81' ' ' VAL . . . . . 0.733 HG13 ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER -170.58 63.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -86.56 149.42 24.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.75 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.713 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.2 OUTLIER -94.85 -41.74 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.837 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 1.069 HD13 ' HB3' ' A' ' 37' ' ' ALA . 31.3 tp 74.87 -51.44 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.721 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 61.37 112.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 1.002 HG12 HG13 ' D' ' 116' ' ' VAL . 1.0 OUTLIER -55.22 -25.74 17.29 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.071 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.69 -46.17 86.69 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.359 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.12 -34.63 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.84 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.736 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.11 -29.69 64.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.233 179.401 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 42.3 t80 -72.57 -50.19 27.21 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.107 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -61.3 -31.09 70.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.619 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 92' ' ' SER . . . . . 0.417 ' CB ' ' HG2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -64.1 -51.62 63.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.758 179.467 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.762 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.8 OUTLIER -55.81 -37.81 69.15 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.518 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 94' ' ' LYS . . . . . 0.401 ' NZ ' HD22 ' D' ' 113' ' ' LEU . 4.9 mmtt -59.35 -41.79 90.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.6 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.58 -53.63 26.63 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.766 HG23 HD21 ' A' ' 23' ' ' LEU . 9.5 mt -51.03 -41.05 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.81 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.856 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -60.46 -53.16 60.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.039 179.693 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -80.03 -2.97 46.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.02 0.438 . . . . 0.0 110.48 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 99' ' ' THR . . . . . 0.435 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.6 m -97.1 -33.61 11.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.618 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.769 HD21 HD23 ' A' ' 23' ' ' LEU . 13.5 mt -87.16 -48.95 7.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.852 0.358 . . . . 0.0 110.433 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 101' ' ' VAL . . . . . 0.4 ' HA ' ' OE1' ' D' ' 106' ' ' GLN . 0.0 OUTLIER 41.12 35.8 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.759 179.248 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 102' ' ' ASP . . . . . 0.406 ' HB2' ' HB2' ' D' ' 105' ' ' SER . 0.2 OUTLIER -98.65 19.05 15.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.654 179.623 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 27.2 t 66.21 -70.92 0.1 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 104' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' D' ' 105' ' ' SER . 0.7 OUTLIER -61.74 -30.15 70.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.061 0.458 . . . . 0.0 109.944 179.595 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.804 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.6 OUTLIER -70.46 -39.91 73.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.974 179.226 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 106' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' D' ' 101' ' ' VAL . 0.8 OUTLIER -62.93 -33.62 75.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.165 0.507 . . . . 0.0 109.803 179.275 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.57 -42.89 73.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.851 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.725 ' HB3' HG13 ' A' ' 15' ' ' VAL . 17.1 m-20 -70.94 -40.76 71.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.856 HD13 ' HA ' ' D' ' 97' ' ' GLN . 4.9 mt -61.75 -49.21 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.263 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.659 ' HA ' HD12 ' D' ' 113' ' ' LEU . 16.1 m -55.98 -36.12 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.061 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.465 HD23 HG22 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -58.02 -51.33 70.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.229 179.064 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.865 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 mt -60.24 -42.61 95.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' D' ' 110' ' ' SER . 3.9 mt -57.43 -49.88 74.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.631 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.99 -42.47 98.46 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.261 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.753 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.9 mp -61.88 -41.42 97.85 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 1.002 HG13 HG12 ' D' ' 86' ' ' ILE . 86.3 t -62.21 -53.22 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.407 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.0 OUTLIER -65.93 -19.28 65.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.079 -179.318 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 118' ' ' ASN . . . . . 0.418 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.4 OUTLIER -53.64 127.83 26.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.731 0.3 . . . . 0.0 110.8 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -56.87 -58.77 6.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.602 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 120' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' D' ' 123' ' ' ASN . 0.7 OUTLIER -56.99 -46.22 82.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.937 -179.705 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.455 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 8.4 t80 -58.97 -56.07 27.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 122' ' ' GLN . . . . . 0.459 ' CG ' HD13 ' D' ' 86' ' ' ILE . 0.8 OUTLIER -54.68 -31.83 58.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.8 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.478 ' HB3' HG12 ' B' ' 127' ' ' ILE . 3.9 m-20 -61.26 -51.45 68.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.659 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.935 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -64.08 -49.2 73.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.994 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.79 ' CD1' HD12 ' D' ' 86' ' ' ILE . 39.5 t80 -57.85 -34.67 69.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -41.19 80.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 1.138 HD11 HD11 ' B' ' 127' ' ' ILE . 7.7 mt -59.16 -49.9 81.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.987 0.423 . . . . 0.0 111.003 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.628 ' O ' ' HB ' ' D' ' 132' ' ' THR . 13.1 t-80 -64.32 -46.19 84.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.093 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.928 ' O ' HG23 ' D' ' 133' ' ' VAL . 1.7 m-80 -55.62 -60.28 3.66 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.04 71.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.788 HG21 ' CG2' ' C' ' 57' ' ' ILE . 93.4 mt -58.04 -47.75 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.283 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.713 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -56.92 -45.28 82.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.222 0.534 . . . . 0.0 109.906 179.413 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.928 HG23 ' O ' ' D' ' 129' ' ' ASN . 92.5 t -53.71 -50.9 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.379 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -30.86 71.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.24 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 29.5 ttm -55.62 -53.6 54.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -72.21 -30.36 64.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.027 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -82.07 -79.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.93 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.76 -177.23 3.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.9 0.381 . . . . 0.0 111.039 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.896 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.753 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.612 0.244 . . . . 0.0 110.965 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.69 -30.06 42.36 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.602 2.201 . . . . 0.0 112.433 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.62 86.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.86 -40.31 97.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.682 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.7 mt-10 -68.01 -45.77 73.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 11.7 tttm -62.55 -48.1 80.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.742 ' CE ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -60.72 -38.2 84.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.697 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.3 tp60 -69.25 -38.28 78.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 8' ' ' GLU . 17.9 t -59.24 -49.37 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.023 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.742 HD12 ' CE ' ' A' ' 10' ' ' MET . 9.2 mt -56.96 -51.86 67.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.613 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -64.68 -28.3 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.917 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.865 HG11 HD21 ' D' ' 112' ' ' LEU . 8.3 t -73.38 -36.84 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.994 179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.739 HD13 ' HA ' ' A' ' 39' ' ' TYR . 13.1 mt -64.39 -43.02 95.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.08 -43.57 74.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.724 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -61.2 -54.48 43.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.206 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.781 HD12 HD11 ' D' ' 112' ' ' LEU . 80.8 mt -54.35 -57.27 11.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.035 0.445 . . . . 0.0 110.963 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.724 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -54.1 -30.15 47.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.062 -179.648 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.88 -45.82 79.9 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.156 -1.021 . . . . 0.0 111.405 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -58.72 -38.9 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.603 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 31' ' ' GLN . 19.7 mt -64.93 -47.27 78.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.276 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -58.49 -27.52 64.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.146 179.2 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -82.93 -35.61 25.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.134 0.493 . . . . 0.0 110.37 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.74 -31.26 46.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.49 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.91 21.07 4.69 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.522 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -113.01 80.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.053 0.454 . . . . 0.0 110.053 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.424 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -89.97 9.08 29.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.224 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.414 HG22 ' NE2' ' A' ' 31' ' ' GLN . 21.3 m -85.2 -43.73 13.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.623 ' HB2' HD13 ' A' ' 23' ' ' LEU . 5.8 mp0 -75.52 -25.95 57.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.659 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.403 ' ND2' ' HG2' ' A' ' 24' ' ' GLN . 94.8 m-20 -55.54 -38.28 69.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.659 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -32.9 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.421 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -74.88 -38.97 61.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.335 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.724 HD12 ' N ' ' A' ' 20' ' ' ARG . 1.4 mt -67.82 -34.69 77.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.484 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -77.1 -29.84 55.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.046 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.849 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -74.4 -44.22 52.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.643 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.705 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 6.5 t80 -73.55 -45.59 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.172 0.51 . . . . 0.0 110.408 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.739 ' HA ' HD13 ' A' ' 16' ' ' LEU . 1.1 t80 -57.1 -53.94 52.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.862 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -59.07 -50.14 75.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.502 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.738 HG22 ' CD2' ' A' ' 47' ' ' PHE . 88.5 m -56.08 -37.31 69.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.056 0.455 . . . . 0.0 110.087 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.705 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -62.9 -32.93 74.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.128 179.098 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HE2' ' CD1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -71.62 -33.83 69.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.653 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.93 135.12 8.36 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.345 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.51 -42.68 2.47 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.616 2.21 . . . . 0.0 112.141 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.729 HD11 HD13 ' C' ' 57' ' ' ILE . 0.2 OUTLIER -58.29 -55.56 33.37 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.159 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.762 ' CE1' HD21 ' A' ' 51' ' ' LEU . 9.2 t80 -58.86 -39.82 82.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.972 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.21 -42.95 78.02 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.343 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.541 ' O ' HG22 ' A' ' 52' ' ' THR . 4.1 tt0 -61.03 -36.9 80.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.197 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.77 HG12 HD21 ' C' ' 53' ' ' LEU . 14.9 mt -64.62 -41.24 91.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.026 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.762 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -74.26 -45.17 49.51 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.497 -179.699 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 49' ' ' GLN . 2.8 t -54.24 -41.42 68.73 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.116 0.484 . . . . 0.0 110.008 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.848 HD21 HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -64.08 -49.72 71.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.759 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.43 HE21 HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -58.94 -34.61 71.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.285 179.177 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.82 -40.04 96.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.042 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -42.74 98.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.652 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.849 ' CG2' HG21 ' B' ' 131' ' ' ILE . 2.1 mt -60.38 -36.46 69.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.213 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -60.48 -44.23 96.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.884 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -59.49 -39.5 83.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.119 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.7 mt -57.65 -45.48 85.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.507 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.468 ' CE ' HG23 ' B' ' 131' ' ' ILE . 9.4 mtpt -58.47 -48.36 81.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.67 -45.71 95.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.651 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -65.44 -52.08 55.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 111.013 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.53 -174.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.751 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.719 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.928 0.394 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.856 HG21 ' HB2' ' B' ' 136' ' ' ASN . 0.0 OUTLIER -179.43 -66.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.941 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.402 ' H ' HG23 ' B' ' 81' ' ' VAL . 0.0 OUTLIER 57.81 109.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.118 179.811 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.888 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.4 OUTLIER -91.62 -167.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.623 179.813 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.847 HD13 ' HB3' ' C' ' 37' ' ' ALA . 22.1 tp -142.92 -38.44 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.53 108.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.717 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.879 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -52.64 -26.92 11.03 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.701 -179.436 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -64.43 -43.02 95.64 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.554 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ASP . . . . . 0.407 ' HB3' ' NZ ' ' C' ' 34' ' ' LYS . 0.9 OUTLIER -80.51 -35.63 34.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.9 178.849 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.785 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.01 -31.43 66.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.296 179.475 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.481 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 13.3 t80 -72.85 -50.47 23.8 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.076 0.465 . . . . 0.0 110.196 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -30.95 71.05 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' SER . . . . . 0.439 ' OG ' ' HG3' ' C' ' 34' ' ' LYS . 35.6 m -63.61 -51.17 66.44 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.526 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.768 HD13 ' HB2' ' B' ' 112' ' ' LEU . 1.0 OUTLIER -55.42 -38.13 68.56 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.505 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.444 ' HE2' ' CE1' ' B' ' 90' ' ' PHE . 2.4 mptp? -59.13 -40.07 84.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.345 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.453 ' CE1' ' OE1' ' C' ' 31' ' ' GLN . 0.5 OUTLIER -69.1 -51.97 33.16 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.067 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' B' ' 93' ' ' LEU . 10.7 mt -51.7 -40.51 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.911 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.899 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -61.01 -52.21 65.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.078 179.674 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -80.42 -4.68 54.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.999 0.428 . . . . 0.0 110.456 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.9 m -96.79 -31.84 12.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.418 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.85 HD12 HD11 ' B' ' 109' ' ' ILE . 43.5 mt -92.15 -52.87 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.235 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.65 35.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.756 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -97.84 21.6 10.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 29.3 t 66.32 -71.19 0.09 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -32.41 70.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.218 0.532 . . . . 0.0 110.13 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.779 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -69.83 -38.79 76.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.544 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -36.87 85.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.094 0.473 . . . . 0.0 110.277 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.89 -40.51 79.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.463 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.817 ' HB3' HG13 ' C' ' 15' ' ' VAL . 13.2 m-20 -70.49 -43.43 69.73 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.899 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.6 mt -59.38 -49.26 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.504 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.641 ' HA ' HD12 ' B' ' 113' ' ' LEU . 3.6 t -57.05 -34.62 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.907 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.594 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.71 -51.4 68.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.895 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.844 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.7 mt -63.58 -42.61 98.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' B' ' 110' ' ' SER . 6.2 mt -56.45 -42.39 78.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.662 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -62.49 -52.13 64.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.494 ' CD2' HG21 ' C' ' 12' ' ' VAL . 2.2 mp -58.83 -50.74 72.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.241 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.879 HG13 HG12 ' B' ' 86' ' ' ILE . 58.8 t -55.79 -38.26 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.542 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -87.71 -8.15 56.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.894 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 1.3 t-20 -63.41 135.28 56.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.707 0.289 . . . . 0.0 110.645 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -56.43 -58.86 6.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.397 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.12 -47.38 86.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.261 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 11.0 t80 -56.35 -56.29 22.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.952 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -54.61 -33.66 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.401 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.7 OUTLIER -61.68 -51.11 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 0.0 110.667 179.706 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.893 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -60.15 -43.19 95.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.782 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.6 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 2.2 t80 -63.12 -38.72 92.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -62.01 -37.82 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.343 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 1.063 HD11 HD11 ' D' ' 127' ' ' ILE . 11.8 mt -64.03 -49.74 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.735 ' O ' ' HB ' ' B' ' 132' ' ' THR . 27.8 t-80 -67.14 -44.07 80.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.126 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.884 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.8 OUTLIER -55.22 -59.07 5.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.15 -51.91 64.56 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.849 HG21 ' CG2' ' A' ' 57' ' ' ILE . 82.3 mt -57.58 -43.52 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.2 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.888 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.5 OUTLIER -59.46 -46.16 89.57 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.249 0.547 . . . . 0.0 109.589 179.057 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.884 HG23 ' O ' ' B' ' 129' ' ' ASN . 97.8 t -54.84 -46.43 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.257 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 134' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' B' ' 131' ' ' ILE . 3.7 m-70 -63.47 -33.58 75.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.935 178.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.4 ttm -58.89 -41.44 87.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.395 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' ASN . . . . . 0.856 ' HB2' HG21 ' B' ' 81' ' ' VAL . 29.9 t30 -74.21 -34.27 63.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.739 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -31.0 61.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 60.73 88.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.959 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 4' ' ' ASN . . . . . 0.631 ' OD1' ' HB3' ' C' ' 6' ' ' ALA . 27.3 t-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.597 0.237 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.05 -28.48 57.2 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.495 2.13 . . . . 0.0 112.41 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ALA . . . . . 0.631 ' HB3' ' OD1' ' C' ' 4' ' ' ASN . . . -70.74 -31.38 68.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.057 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.58 92.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.817 ' O ' HG23 ' C' ' 12' ' ' VAL . 4.9 mm-40 -61.64 -50.05 74.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.817 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.9 ttpt -59.76 -43.71 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.624 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -46.82 89.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.048 0.452 . . . . 0.0 109.914 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.571 ' O ' HG23 ' C' ' 15' ' ' VAL . 31.0 tp60 -64.99 -35.99 82.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.535 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.817 HG23 ' O ' ' C' ' 8' ' ' GLU . 41.0 t -59.24 -56.05 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.685 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.74 ' HA ' HD12 ' C' ' 16' ' ' LEU . 14.9 mt -54.57 -41.01 69.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.142 0.496 . . . . 0.0 110.178 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -28.28 65.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.818 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.817 HG13 ' HB3' ' B' ' 108' ' ' ASP . 3.9 t -73.74 -40.13 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.959 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' C' ' 13' ' ' LEU . 7.9 mt -64.51 -40.63 96.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.991 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.82 -41.41 75.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -66.6 -53.83 30.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.615 HD12 HD11 ' B' ' 112' ' ' LEU . 66.7 mt -54.61 -57.44 11.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 0.0 110.748 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.742 ' N ' HD12 ' C' ' 35' ' ' LEU . 0.5 OUTLIER -54.77 -31.96 59.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.803 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.58 -47.33 85.0 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.829 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.57 ' HB3' HD22 ' B' ' 100' ' ' LEU . 2.0 mttm -60.79 -34.9 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.6 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' C' ' 20' ' ' ARG . 21.2 mt -65.05 -49.92 68.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.95 0.405 . . . . 0.0 110.322 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.537 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.3 OUTLIER -58.13 -27.92 64.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.122 179.189 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.26 -31.98 29.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.512 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.438 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.0 OUTLIER -80.65 -32.06 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.157 -179.788 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.06 21.12 4.62 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 12.7 m-20 -117.54 82.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.419 . . . . 0.0 110.102 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.537 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -90.38 9.87 27.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.108 179.681 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 52.7 m -78.49 -52.01 9.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.458 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.453 ' OE1' ' CE1' ' B' ' 95' ' ' HIS . 18.2 mp0 -73.53 -24.97 60.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.498 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -52.1 -42.07 62.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.521 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.51 -32.91 67.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.288 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.439 ' HG3' ' OG ' ' B' ' 92' ' ' SER . 25.2 mmmt -70.75 -41.84 71.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.315 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.742 HD12 ' N ' ' C' ' 20' ' ' ARG . 1.3 mt -66.21 -31.87 72.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.268 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -33.13 56.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.85 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.847 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.73 -45.41 58.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.459 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.764 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 2.5 t80 -68.88 -49.5 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.323 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.643 ' HA ' HD13 ' C' ' 16' ' ' LEU . 38.4 t80 -53.87 -53.72 48.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.433 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 1.9 mt-10 -59.95 -43.96 94.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.782 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 85.1 m -59.91 -41.58 92.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.599 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.764 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 6.2 mt -61.18 -34.38 74.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.391 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.477 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.4 OUTLIER -72.38 -31.01 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.817 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 44' ' ' SER . . . . . 0.437 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 1.6 m -47.6 129.3 10.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.265 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 45' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 27.4 Cg_exo -60.41 -46.33 18.37 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.294 1.996 . . . . 0.0 111.679 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.784 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -57.64 -53.43 58.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.346 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.926 ' CE1' HD21 ' C' ' 51' ' ' LEU . 19.8 t80 -56.92 -45.52 82.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.604 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.71 -34.65 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.4 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 34.3 mt-30 -67.99 -39.21 83.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.364 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.848 HG12 HD21 ' A' ' 53' ' ' LEU . 3.0 mt -63.53 -44.63 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.074 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.926 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.4 OUTLIER -69.46 -41.84 75.67 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.7 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -53.7 -48.83 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.014 0.435 . . . . 0.0 110.431 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.77 HD21 HG12 ' A' ' 50' ' ' ILE . 1.5 tt -59.12 -51.69 68.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.198 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.615 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -61.35 -30.84 70.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.42 179.545 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -39.54 94.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.019 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 30.4 t -65.77 -43.35 89.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.829 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.729 HD13 HD11 ' A' ' 46' ' ' LEU . 3.3 mt -60.35 -43.03 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.393 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 58' ' ' LYS . . . . . 0.422 ' HG2' ' HZ3' ' C' ' 61' ' ' LYS . 0.1 OUTLIER -59.26 -39.5 83.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.184 179.28 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -61.09 -40.68 94.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.271 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.7 OUTLIER -57.52 -48.72 78.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.489 179.597 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.437 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 1.7 mtpt -55.59 -59.58 4.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.06 -53.27 45.86 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.727 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -58.9 -37.04 75.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.765 0.316 . . . . 0.0 111.051 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 46.2 mt -83.36 131.35 35.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.734 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.941 0.401 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 81' ' ' VAL . . . . . 0.438 HG23 ' CD1' ' D' ' 83' ' ' ILE . 29.8 m -135.33 -7.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.192 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.7 101.78 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.817 0.341 . . . . 0.0 111.269 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.828 HD12 ' CG2' ' D' ' 132' ' ' THR . 1.1 mm -84.79 -33.47 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 0.849 HD13 ' HB3' ' A' ' 37' ' ' ALA . 16.5 tp 70.25 -52.73 0.64 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.119 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.46 113.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.949 HG12 HG13 ' D' ' 116' ' ' VAL . 1.1 mt -53.65 -25.06 10.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.54 -45.9 85.15 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.285 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -78.57 -35.07 46.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.792 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.27 -30.81 65.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.468 179.553 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 12.1 t80 -72.46 -48.21 42.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 0.0 109.848 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -30.1 70.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.612 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 92' ' ' SER . . . . . 0.799 ' O ' HD12 ' D' ' 96' ' ' ILE . 0.3 OUTLIER -63.72 -53.47 50.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.408 179.373 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.716 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -56.4 -35.89 68.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -58.93 -44.98 91.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.667 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 95' ' ' HIS . . . . . 0.434 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 2.2 t60 -66.68 -55.63 14.27 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.799 HD12 ' O ' ' D' ' 92' ' ' SER . 4.3 mt -50.67 -33.5 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.956 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.583 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -65.32 -47.37 76.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.832 179.658 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -21.06 45.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.041 0.448 . . . . 0.0 110.478 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 99' ' ' THR . . . . . 0.402 ' HG1' ' CE1' ' D' ' 95' ' ' HIS . 1.4 m -84.67 -33.97 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.175 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.631 HD12 HD11 ' D' ' 109' ' ' ILE . 48.9 mt -104.37 85.04 2.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.68 0.752 . . . . 0.0 109.238 178.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.1 36.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.409 -1.268 . . . . 0.0 111.16 -178.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.15 12.42 20.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.922 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 7.5 t 72.4 -68.29 0.23 Allowed 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.328 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 104' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' D' ' 107' ' ' GLU . 59.6 tp60 -60.93 -31.3 70.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.193 0.52 . . . . 0.0 110.072 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.516 ' O ' HD12 ' D' ' 109' ' ' ILE . 16.4 m -73.32 -47.64 40.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.468 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -65.75 -30.74 71.45 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.715 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 107' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' D' ' 104' ' ' GLN . 4.1 pt-20 -72.87 -36.82 67.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.688 ' HB3' HG13 ' A' ' 15' ' ' VAL . 15.9 m-20 -70.73 -40.99 72.43 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.687 ' CD1' HG22 ' D' ' 96' ' ' ILE . 5.9 mt -61.13 -49.44 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 114.942 -1.027 . . . . 0.0 109.652 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.601 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.2 m -54.55 -38.14 66.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.258 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.483 HD23 HD23 ' D' ' 112' ' ' LEU . 6.4 tt -59.83 -44.75 93.89 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.826 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.865 HD21 HG11 ' A' ' 15' ' ' VAL . 3.1 mt -63.8 -41.39 97.91 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.608 ' CD1' HG22 ' D' ' 109' ' ' ILE . 2.8 mt -60.0 -42.75 94.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.439 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 114' ' ' GLN . . . . . 0.547 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -61.8 -36.76 82.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.895 179.512 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.605 ' CD2' HG21 ' A' ' 12' ' ' VAL . 5.1 mp -70.73 -47.46 59.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.453 0.644 . . . . 0.0 109.837 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.949 HG13 HG12 ' D' ' 86' ' ' ILE . 58.8 t -62.08 -37.4 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.573 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.452 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 52.1 mt-30 -84.59 -17.93 37.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.391 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.43 143.54 19.02 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.813 0.339 . . . . 0.0 110.528 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -58.45 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.301 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.29 -50.01 74.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.722 0.296 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 10.8 t80 -55.82 -51.65 66.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -51.94 -35.89 47.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.672 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.454 ' O ' HG13 ' D' ' 127' ' ' ILE . 21.3 m-20 -68.25 -50.27 55.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.799 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.89 -49.45 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.043 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.663 ' CD1' HD12 ' D' ' 86' ' ' ILE . 15.3 t80 -63.45 -34.53 77.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -37.1 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 1.063 HD11 HD11 ' B' ' 127' ' ' ILE . 11.9 mt -64.73 -49.99 77.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.105 0.478 . . . . 0.0 110.519 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.802 ' O ' ' HB ' ' D' ' 132' ' ' THR . 42.0 t-80 -65.4 -41.39 93.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.837 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.868 ' O ' HG23 ' D' ' 133' ' ' VAL . 12.2 t-20 -55.26 -60.43 3.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.016 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.21 62.65 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.693 HD12 HG22 ' D' ' 127' ' ' ILE . 60.4 mt -57.81 -39.68 72.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.154 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.828 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -61.81 -45.24 94.72 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.868 HG23 ' O ' ' D' ' 129' ' ' ASN . 98.6 t -54.44 -49.21 66.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.533 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -33.12 74.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.925 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -45.04 96.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.434 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -65.25 -38.44 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.619 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.16 -73.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.801 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 58.5 96.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.065 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.911 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.568 0.223 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.96 -27.32 35.12 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.605 2.203 . . . . 0.0 112.27 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.53 -30.41 70.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.38 -41.27 84.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.803 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.9 mt-10 -68.07 -56.59 8.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.748 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.7 -41.13 73.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.504 ' HA ' ' HE2' ' A' ' 10' ' ' MET . 11.2 tpp -61.6 -47.69 84.31 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 15' ' ' VAL . 26.4 tp60 -61.93 -37.69 85.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 8' ' ' GLU . 71.1 t -57.23 -50.31 77.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.341 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.916 HD13 ' NZ ' ' A' ' 43' ' ' LYS . 11.9 mt -53.11 -50.82 63.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.35 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -65.66 -28.04 68.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.863 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.826 ' CG1' HD21 ' D' ' 112' ' ' LEU . 5.1 t -72.46 -36.19 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.044 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.62 HD11 HD12 ' A' ' 42' ' ' LEU . 45.6 mt -64.05 -44.85 91.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.317 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.35 -38.51 74.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -54.68 32.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.914 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.536 HD12 HD11 ' D' ' 112' ' ' LEU . 75.3 mt -54.9 -55.38 31.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.049 0.452 . . . . 0.0 110.031 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.713 ' HB2' HD12 ' A' ' 35' ' ' LEU . 5.6 tmm_? -50.27 -42.45 52.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.038 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.09 -46.25 85.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.563 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 8.1 mmmt -63.0 -31.82 73.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 111.016 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.694 HD21 HG23 ' D' ' 96' ' ' ILE . 26.0 mt -71.95 -50.08 32.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.998 0.428 . . . . 0.0 110.791 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -26.49 66.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.224 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -82.92 -39.88 20.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.27 0.557 . . . . 0.0 109.973 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 1.6 mptt -70.87 -30.72 67.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.192 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.22 23.56 4.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 15.8 m-20 -120.41 81.52 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.0 0.428 . . . . 0.0 110.151 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.2 10.18 30.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.399 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.481 HG22 HE21 ' A' ' 31' ' ' GLN . 3.6 m -80.78 -48.89 11.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.039 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.586 ' HB2' HD13 ' A' ' 23' ' ' LEU . 2.0 mm-40 -67.22 -24.82 65.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.894 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.537 ' ND2' ' HD3' ' A' ' 20' ' ' ARG . 3.8 m-20 -44.68 -50.2 10.02 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.927 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -34.6 67.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.528 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -68.05 -39.77 82.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.235 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.713 HD12 ' HB2' ' A' ' 20' ' ' ARG . 1.9 mt -70.9 -41.25 71.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.049 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.6 p -69.87 -36.15 75.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.462 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.034 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -61.61 -45.99 91.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.517 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.673 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 4.4 t80 -70.66 -38.01 73.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.015 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.566 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 1.6 t80 -53.38 -53.43 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.125 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -52.28 56.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.418 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.452 HG22 ' CD2' ' A' ' 47' ' ' PHE . 97.6 m -56.95 -33.4 66.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.0 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.673 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -67.44 -41.67 84.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.864 0.364 . . . . 0.0 110.41 179.507 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.916 ' NZ ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.33 -24.16 62.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 t -45.73 119.0 4.46 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.349 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.42 -51.81 7.68 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.399 2.066 . . . . 0.0 111.796 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.712 HD11 HD11 ' C' ' 57' ' ' ILE . 0.8 OUTLIER -57.95 -46.11 85.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.179 179.63 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CD2' HG22 ' A' ' 41' ' ' THR . 12.5 t80 -57.86 -46.15 85.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.347 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -56.0 -36.11 67.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.241 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -64.38 -41.06 96.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.191 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.814 HG12 HD21 ' C' ' 53' ' ' LEU . 4.3 mt -59.76 -43.01 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.574 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -69.12 -39.67 78.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.292 179.534 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.1 m -55.09 -45.7 75.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.323 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.864 HD21 HG12 ' C' ' 50' ' ' ILE . 0.6 OUTLIER -62.26 -49.89 73.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.051 179.216 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.484 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.4 OUTLIER -58.86 -32.21 69.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.441 179.459 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -65.64 -41.33 92.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.314 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -61.18 -44.03 97.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.075 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.698 ' HA ' HD12 ' A' ' 60' ' ' LEU . 16.8 mt -61.42 -35.13 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.047 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -42.48 98.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.883 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -39.03 90.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.98 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -58.05 -42.04 84.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.374 179.253 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HA ' ' HG3' ' B' ' 135' ' ' MET . 12.1 mtmt -61.12 -56.41 21.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.801 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.26 -26.58 67.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.569 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -85.9 -30.36 22.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -86.56 85.01 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.968 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.719 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.777 0.322 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.719 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -169.87 47.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.079 0.466 . . . . 0.0 111.124 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.63 144.73 25.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.052 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.77 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -94.06 -172.43 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.337 0.589 . . . . 0.0 111.259 -179.711 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 1.005 HD13 ' HB3' ' C' ' 37' ' ' ALA . 3.9 tp -172.31 52.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.241 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 84' ' ' LEU . 2.6 mm-40 -36.17 121.52 0.69 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.708 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.934 HG12 HG13 ' B' ' 116' ' ' VAL . 0.7 OUTLIER -49.28 -24.59 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.781 -178.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.38 -45.89 91.13 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -36.52 51.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.998 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.732 HD12 HD21 ' B' ' 93' ' ' LEU . 0.1 OUTLIER -72.17 -28.75 63.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.491 179.697 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 12.0 t80 -72.53 -48.81 37.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.8 m -62.61 -29.36 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.456 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' SER . . . . . 0.837 ' O ' HD12 ' B' ' 96' ' ' ILE . 74.6 m -63.4 -53.25 55.39 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.391 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.732 HD21 HD12 ' B' ' 89' ' ' LEU . 0.6 OUTLIER -57.03 -35.67 69.57 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.168 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.471 ' HA ' ' HG2' ' B' ' 97' ' ' GLN . 31.8 mmtt -59.84 -38.8 83.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.608 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.408 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 2.0 t60 -72.36 -54.1 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.837 HD12 ' O ' ' B' ' 92' ' ' SER . 3.7 mt -53.33 -35.03 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.76 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.928 ' HA ' HD13 ' B' ' 109' ' ' ILE . 2.2 pt20 -70.69 -38.11 73.66 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.327 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.466 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.6 OUTLIER -82.39 -20.44 37.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.212 179.013 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -85.74 -40.03 16.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.893 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.71 HD23 ' HE2' ' C' ' 26' ' ' LYS . 54.4 mt -96.97 85.82 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.47 35.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.464 -178.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.61 15.51 12.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.002 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.99 -67.47 0.21 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.786 0.326 . . . . 0.0 111.19 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -35.29 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.739 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.5 OUTLIER -67.94 -39.67 83.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.981 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.02 -35.48 80.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.976 0.417 . . . . 0.0 110.365 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -41.56 77.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.709 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.744 ' HB3' HG13 ' C' ' 15' ' ' VAL . 38.4 m-20 -70.24 -42.87 71.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.928 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.7 mt -59.34 -49.39 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.404 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.62 ' HA ' HD12 ' B' ' 113' ' ' LEU . 7.4 m -55.49 -35.92 66.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.879 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.771 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.39 -51.31 68.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.811 178.839 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.822 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.1 mt -62.47 -41.72 98.97 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.395 178.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.635 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.4 mt -58.16 -39.58 79.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.564 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.26 -51.89 67.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.008 0.433 . . . . 0.0 110.287 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.698 HD21 HG21 ' C' ' 12' ' ' VAL . 1.0 OUTLIER -61.37 -49.28 77.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.937 179.192 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.934 HG13 HG12 ' B' ' 86' ' ' ILE . 57.5 t -58.97 -34.92 54.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.457 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 44.1 mt-30 -89.27 -9.66 49.82 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 1.2 m-20 -58.91 151.24 22.19 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.758 0.313 . . . . 0.0 110.677 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -58.83 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.343 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -44.91 94.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.786 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.452 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 9.2 t80 -55.93 -53.46 56.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.558 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -53.02 -42.31 65.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.421 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.6 OUTLIER -60.16 -51.19 70.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.953 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.93 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -57.58 -49.06 77.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.078 0.466 . . . . 0.0 110.937 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.455 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 4.8 t80 -59.3 -36.8 76.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.26 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -65.01 -39.28 93.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.661 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 1.028 HD11 HD11 ' D' ' 127' ' ' ILE . 11.4 mt -60.33 -49.65 83.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 CA-C-O 121.149 0.5 . . . . 0.0 110.348 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.794 ' O ' ' HB ' ' B' ' 132' ' ' THR . 24.0 t-80 -60.24 -42.82 96.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.046 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.908 ' O ' HG23 ' B' ' 133' ' ' VAL . 74.4 m-20 -54.99 -60.77 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 130' ' ' ALA . . . . . 0.487 ' HB1' ' HG2' ' D' ' 119' ' ' LYS . . . -62.87 -51.65 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.756 HD12 HG22 ' B' ' 127' ' ' ILE . 53.2 mt -59.12 -38.6 75.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.396 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.794 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -65.64 -47.39 75.72 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.294 0.568 . . . . 0.0 109.542 178.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.908 HG23 ' O ' ' B' ' 129' ' ' ASN . 99.0 t -52.93 -51.1 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.459 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -63.36 -30.89 71.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.048 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' MET . . . . . 0.427 ' HG3' ' HA ' ' A' ' 61' ' ' LYS . 29.7 ttm -54.62 -60.03 3.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.985 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -70.66 -30.75 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -76.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.44 -169.94 0.46 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 64.4 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.926 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 61.8 t30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.589 0.233 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.98 -28.33 66.42 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.535 2.156 . . . . 0.0 112.314 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.9 67.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.19 -32.14 69.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.8 ' O ' HG23 ' C' ' 12' ' ' VAL . 3.1 mm-40 -66.85 -58.23 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.2 OUTLIER -56.65 -42.3 78.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.633 179.694 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -44.09 97.66 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.585 ' NE2' HG23 ' C' ' 15' ' ' VAL . 30.8 tp60 -67.87 -32.07 72.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.638 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.8 HG23 ' O ' ' C' ' 8' ' ' GLU . 55.4 t -61.53 -56.06 20.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.589 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.848 ' HA ' HD12 ' C' ' 16' ' ' LEU . 18.5 mt -55.86 -42.48 75.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.137 0.494 . . . . 0.0 109.895 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -28.5 67.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.433 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.78 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.0 t -74.11 -37.88 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.93 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.848 HD12 ' HA ' ' C' ' 13' ' ' LEU . 11.2 mt -64.3 -40.52 96.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.761 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -41.45 77.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.532 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -54.28 27.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.644 HD12 HD11 ' B' ' 112' ' ' LEU . 68.6 mt -52.56 -57.06 11.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 0.0 110.37 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.658 ' CA ' HD12 ' C' ' 35' ' ' LEU . 5.4 tmm_? -50.9 -39.22 53.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.019 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.95 -45.38 95.21 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.98 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.589 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.9 mtpp -63.69 -32.56 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.658 0.266 . . . . 0.0 110.803 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.662 HD23 HD21 ' B' ' 100' ' ' LEU . 52.2 mt -67.57 -50.51 58.06 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.903 0.382 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -32.65 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.03 -28.34 29.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.311 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.71 ' HE2' HD23 ' B' ' 100' ' ' LEU . 8.6 mttm -78.47 -32.55 48.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.151 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.26 14.85 8.73 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.486 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.93 84.92 2.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 110.048 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.839 HG22 ' ND2' ' C' ' 32' ' ' ASN . 0.3 OUTLIER -94.87 27.26 3.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.005 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 30' ' ' THR . . . . . 0.562 HG22 HE21 ' C' ' 31' ' ' GLN . 3.1 m -102.1 -47.4 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.426 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.723 ' HB3' HD11 ' B' ' 96' ' ' ILE . 2.0 mm-40 -72.78 -23.3 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.531 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ASN . . . . . 0.839 ' ND2' HG22 ' C' ' 29' ' ' THR . 24.0 p-10 -48.58 -45.04 37.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -56.59 -32.24 65.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.126 0.488 . . . . 0.0 110.136 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.416 ' HA ' ' CD1' ' B' ' 84' ' ' LEU . 1.1 mmmm -73.31 -38.6 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.306 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.658 HD12 ' CA ' ' C' ' 20' ' ' ARG . 1.8 mt -70.11 -32.04 69.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -77.06 -32.54 56.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.002 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 1.005 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -76.94 -44.66 30.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.521 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.547 ' HD2' HD21 ' C' ' 16' ' ' LEU . 2.5 t80 -67.04 -39.71 87.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.274 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.676 ' HA ' HD13 ' C' ' 16' ' ' LEU . 42.1 t80 -64.37 -53.16 52.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.192 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.86 -49.83 76.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.116 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.461 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 90.9 m -56.21 -42.74 77.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.835 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.735 ' HB3' HD21 ' C' ' 13' ' ' LEU . 7.1 mt -61.56 -33.97 74.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.15 0.5 . . . . 0.0 110.291 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.751 ' HG3' HD13 ' C' ' 13' ' ' LEU . 15.5 mtpt -79.29 -34.38 42.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.561 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -45.19 140.57 3.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.449 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.66 -43.51 1.32 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.609 2.206 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.544 HD11 HD13 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.91 -52.8 64.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.357 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.881 ' CE1' HD21 ' C' ' 51' ' ' LEU . 23.7 t80 -58.26 -44.94 88.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.365 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -56.43 -39.43 73.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -44.66 95.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.864 HG12 HD21 ' A' ' 53' ' ' LEU . 25.6 mt -56.78 -44.75 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.806 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.881 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -67.66 -34.31 76.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.276 179.49 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.9 m -53.89 -50.26 66.74 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.908 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.814 HD21 HG12 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -61.19 -46.15 91.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.646 178.768 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -32.73 69.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.884 178.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -66.52 -36.88 83.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.887 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 39.9 t -60.61 -47.59 85.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.816 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 1.017 HG21 HG21 ' D' ' 131' ' ' ILE . 60.2 mt -60.17 -38.38 76.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.983 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -58.46 -37.51 75.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.014 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -40.55 90.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.092 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.5 mt -53.97 -49.73 68.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.673 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -60.33 -49.23 78.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.18 -42.28 98.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.53 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -62.98 -58.59 6.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.823 0.344 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.14 175.08 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.786 0.327 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 15.8 m 41.89 63.18 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.819 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 125.96 30.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.707 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.794 HD11 HG22 ' D' ' 133' ' ' VAL . 0.2 OUTLIER -88.74 -165.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.906 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 1.034 HD13 ' HB3' ' A' ' 37' ' ' ALA . 48.6 tp -146.79 -45.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.878 0.371 . . . . 0.0 111.579 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.56 96.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -178.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.95 HG12 HG13 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -49.63 -24.97 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.852 -178.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.29 -41.21 94.36 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.023 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -81.14 -36.12 30.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.797 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.838 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -71.98 -31.34 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.394 179.337 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.506 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 15.6 t80 -72.36 -49.93 30.43 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.128 0.489 . . . . 0.0 109.806 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 30.1 t -61.75 -29.31 70.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.369 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 92' ' ' SER . . . . . 0.511 ' C ' HD12 ' D' ' 96' ' ' ILE . 32.0 t -63.06 -52.58 62.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.348 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.739 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.7 OUTLIER -56.99 -35.46 69.21 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.497 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 94' ' ' LYS . . . . . 0.581 ' HE2' HD22 ' D' ' 113' ' ' LEU . 0.5 OUTLIER -59.24 -43.24 92.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.748 179.135 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.04 -54.23 19.88 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.694 HG23 HD21 ' A' ' 23' ' ' LEU . 7.2 mt -50.72 -36.66 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.894 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.601 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.85 -53.23 57.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.059 179.638 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -80.89 -2.34 47.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.538 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 99' ' ' THR . . . . . 0.402 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.5 m -99.06 -33.45 10.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.662 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.886 HD12 HD11 ' D' ' 109' ' ' ILE . 27.1 mt -89.1 -56.16 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.653 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 43.11 38.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.526 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.15 19.62 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.935 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.54 -71.09 0.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.73 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -34.85 74.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.222 0.534 . . . . 0.0 109.907 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.829 ' O ' HD12 ' D' ' 109' ' ' ILE . 59.0 m -67.87 -38.24 82.84 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.324 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -38.62 89.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.063 0.459 . . . . 0.0 110.298 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.07 -40.58 87.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.703 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.741 ' HB3' HG13 ' A' ' 15' ' ' VAL . 14.4 m-20 -70.41 -43.59 69.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.886 HD11 HD12 ' D' ' 100' ' ' LEU . 3.9 mt -58.55 -49.25 83.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.48 178.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.678 ' HA ' HD12 ' D' ' 113' ' ' LEU . 63.8 m -58.01 -34.65 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.101 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.565 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.84 -51.17 70.07 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.913 179.005 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.826 HD21 ' CG1' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -64.41 -40.65 96.21 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.799 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' D' ' 110' ' ' SER . 8.1 mt -58.73 -41.39 86.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.619 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 114' ' ' GLN . . . . . 0.426 ' HG2' ' CD1' ' D' ' 115' ' ' LEU . 0.1 OUTLIER -65.97 -52.08 52.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.312 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.579 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.5 mp -56.3 -49.04 75.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.27 0.557 . . . . 0.0 109.947 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.95 HG13 HG12 ' D' ' 86' ' ' ILE . 87.8 t -57.82 -48.61 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.634 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 52.5 mt-30 -76.18 -8.73 57.68 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 118' ' ' ASN . . . . . 0.429 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.6 OUTLIER -62.5 135.51 57.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.72 0.295 . . . . 0.0 110.421 179.554 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 119' ' ' LYS . . . . . 0.487 ' HG2' ' HB1' ' B' ' 130' ' ' ALA . 0.0 OUTLIER -56.35 -58.88 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.76 -179.414 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.19 -50.03 74.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.522 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.9 t80 -55.79 -56.19 23.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.793 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -34.74 63.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.506 ' HB3' HG12 ' B' ' 127' ' ' ILE . 1.1 m120 -63.21 -51.56 65.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.005 0.431 . . . . 0.0 110.795 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.818 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -57.0 -39.49 74.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.977 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.595 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 1.7 t80 -63.79 -39.68 94.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.768 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -62.62 -35.88 81.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.412 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 1.028 HD11 HD11 ' B' ' 127' ' ' ILE . 20.9 mt -64.7 -49.34 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.803 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.775 ' O ' ' HB ' ' D' ' 132' ' ' THR . 6.3 t-80 -67.07 -31.45 71.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.285 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.87 ' O ' HG23 ' D' ' 133' ' ' VAL . 61.4 t-20 -66.09 -61.24 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.83 60.0 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 1.017 HG21 HG21 ' C' ' 57' ' ' ILE . 52.9 mt -53.99 -43.22 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.27 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.775 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.3 OUTLIER -59.33 -46.66 88.0 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.285 0.564 . . . . 0.0 109.563 178.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.87 HG23 ' O ' ' D' ' 129' ' ' ASN . 47.4 t -56.08 -44.73 79.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.693 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -32.54 73.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.135 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 135' ' ' MET . . . . . 0.409 ' HE3' ' HA ' ' D' ' 132' ' ' THR . 11.5 ttm -62.77 -42.16 99.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.599 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -80.13 -35.65 36.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.768 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.73 -54.17 46.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.84 87.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.887 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 5' ' ' PRO . 1.3 t30 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.502 0.191 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 4' ' ' ASN . 29.9 Cg_endo -63.24 -26.46 72.11 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.513 2.142 . . . . 0.0 112.454 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.22 -33.11 50.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.32 -37.75 75.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.8 ' O ' HG23 ' A' ' 12' ' ' VAL . 27.3 mt-10 -63.08 -55.11 28.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 11.5 ttpt -60.76 -45.18 95.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.631 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -42.06 97.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.966 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.526 ' NE2' HG23 ' A' ' 15' ' ' VAL . 31.9 tp60 -68.56 -35.38 77.34 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 8' ' ' GLU . 41.9 t -62.83 -52.22 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.394 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.63 ' HA ' HD12 ' A' ' 16' ' ' LEU . 8.4 mt -55.4 -42.82 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.151 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -28.33 66.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.758 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.81 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.6 t -73.79 -38.52 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.988 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 13' ' ' LEU . 15.7 mt -64.11 -42.01 97.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -43.25 74.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -65.13 -54.25 32.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.04 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.776 HD12 HD11 ' D' ' 112' ' ' LEU . 41.3 mt -51.89 -55.8 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.781 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.64 ' CB ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -52.25 -40.57 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.941 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.82 -42.34 96.51 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.745 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.8 mmtp -61.94 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.558 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.674 HD21 HG23 ' D' ' 96' ' ' ILE . 35.0 mt -62.87 -50.58 70.35 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -55.83 -33.07 64.13 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.31 -27.41 29.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.495 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . 1.2 mmtp -80.89 -30.22 35.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.242 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.17 22.79 6.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.108 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.7 83.21 2.0 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.991 0.425 . . . . 0.0 109.887 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.04 36.0 1.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.253 0.549 . . . . 0.0 109.914 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -109.93 -44.22 3.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.724 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.669 ' HB3' HD11 ' D' ' 96' ' ' ILE . 4.9 mp0 -70.67 -23.05 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.408 ' HB2' ' CD ' ' A' ' 20' ' ' ARG . 6.5 p-10 -46.37 -45.83 18.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.36 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -57.02 -32.7 66.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.921 0.391 . . . . 0.0 110.362 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.549 ' O ' HD13 ' D' ' 84' ' ' LEU . 21.9 mmmt -72.16 -39.44 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 109.911 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.64 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.6 mt -70.41 -29.6 66.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.602 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -74.28 -34.85 63.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.968 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' D' ' 84' ' ' LEU . . . -74.5 -48.79 25.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.713 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.698 ' CE2' HD11 ' A' ' 42' ' ' LEU . 14.2 t80 -62.31 -50.98 69.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.338 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.596 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -56.53 -54.31 47.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.743 179.753 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.87 -49.77 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.939 HG22 ' CD2' ' A' ' 47' ' ' PHE . 52.7 m -58.28 -38.02 76.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.728 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.698 HD11 ' CE2' ' A' ' 38' ' ' PHE . 8.4 mt -64.06 -32.67 74.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.475 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -76.41 -32.02 58.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.93 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 t -51.5 137.42 31.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.328 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.72 -37.46 2.23 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.51 2.14 . . . . 0.0 112.172 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.591 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.2 OUTLIER -60.35 -53.86 52.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.147 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.939 ' CD2' HG22 ' A' ' 41' ' ' THR . 10.3 t80 -58.84 -45.02 91.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.387 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -57.72 -36.06 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.324 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.51 -41.79 98.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.19 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.797 HG12 HD21 ' C' ' 53' ' ' LEU . 5.9 mt -59.05 -49.04 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.738 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.607 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -62.94 -37.53 87.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.37 179.778 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.4 m -53.69 -50.0 66.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.936 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.862 HD21 HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -58.92 -41.98 88.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.534 178.85 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.642 HE21 ' HB2' ' D' ' 124' ' ' ALA . 7.2 mm-40 -60.4 -39.13 86.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.222 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -59.73 -39.82 85.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.127 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 t -61.03 -45.13 96.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.773 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.773 HD13 HD11 ' C' ' 46' ' ' LEU . 3.0 mt -60.08 -36.38 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.323 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -61.07 -41.18 96.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.929 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -62.12 -39.17 91.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.207 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.2 mt -57.61 -48.02 80.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.685 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 8.0 mtmm -64.72 -33.0 74.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.2 -27.43 44.6 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.607 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.82 -53.29 5.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.62 126.85 29.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.048 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.786 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.731 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 121.003 0.43 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.731 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -179.49 -73.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.908 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.455 ' H ' HG23 ' B' ' 81' ' ' VAL . 0.0 OUTLIER 61.1 134.58 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.07 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.598 ' N ' HD13 ' B' ' 83' ' ' ILE . 0.4 OUTLIER -92.2 -165.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.844 HD13 ' HB3' ' C' ' 37' ' ' ALA . 28.9 tp -163.6 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.27 104.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.49 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.859 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -49.61 -26.34 2.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.766 -179.346 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.27 -46.11 88.34 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.308 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.81 -35.29 51.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.483 . . . . 0.0 109.967 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.792 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.53 -30.38 65.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.471 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 11.0 t80 -72.6 -50.34 26.07 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.225 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 11.5 m -62.41 -29.34 70.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.527 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' SER . . . . . 0.448 ' C ' HD12 ' B' ' 96' ' ' ILE . 56.3 m -64.07 -52.16 60.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.625 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.771 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.7 OUTLIER -57.08 -36.18 70.26 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.521 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -59.21 -42.1 90.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.767 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -69.01 -53.35 20.97 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.671 HG23 HD21 ' C' ' 23' ' ' LEU . 8.3 mt -51.02 -38.08 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.902 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.747 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -61.82 -53.81 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.095 179.675 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.71 -4.89 53.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.409 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.8 m -95.5 -33.3 12.49 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.457 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.887 HD12 HD11 ' B' ' 109' ' ' ILE . 18.2 mt -89.31 -54.32 4.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.252 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.26 36.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.672 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.424 ' HB2' ' HB2' ' B' ' 105' ' ' SER . 0.5 OUTLIER -98.59 23.92 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.567 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.46 -72.87 0.07 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.75 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -59.87 -29.53 68.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.201 0.524 . . . . 0.0 109.936 179.18 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.861 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -70.38 -42.32 71.89 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.375 179.305 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -61.81 -35.0 76.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.049 0.452 . . . . 0.0 110.315 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.97 -41.41 74.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.741 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.847 ' HB3' HG13 ' C' ' 15' ' ' VAL . 43.0 m-20 -70.8 -43.0 69.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.644 0.735 . . . . 0.0 109.053 179.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.887 HD11 HD12 ' B' ' 100' ' ' LEU . 4.2 mt -60.33 -49.34 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.41 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.636 ' HA ' HD12 ' B' ' 113' ' ' LEU . 8.4 t -57.67 -33.72 68.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.934 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.622 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.95 -51.55 68.74 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.821 178.822 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.888 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.9 mt -63.48 -43.72 96.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.335 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' B' ' 110' ' ' SER . 6.3 mt -55.17 -41.88 72.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.787 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -61.75 -51.99 66.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.755 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.589 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.3 mp -60.25 -49.07 79.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.256 0.551 . . . . 0.0 110.264 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 112' ' ' LEU . 48.2 t -57.36 -34.22 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.577 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.439 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 54.7 mt-30 -90.29 -10.86 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.75 141.7 52.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 110.528 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -58.76 5.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.274 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.94 -45.35 95.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.71 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 12.3 t80 -55.94 -56.02 25.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.757 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.94 -37.15 60.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.803 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.423 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.6 OUTLIER -62.78 -51.4 67.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.841 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -61.8 -46.68 88.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.784 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.623 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 4.4 t80 -60.77 -35.55 76.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -38.58 89.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.66 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 1.078 HD11 HD11 ' D' ' 127' ' ' ILE . 12.3 mt -63.41 -49.79 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.832 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.63 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.2 t-80 -66.59 -32.49 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.051 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.926 ' O ' HG23 ' B' ' 133' ' ' VAL . 34.3 t-20 -63.15 -60.68 3.1 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 130' ' ' ALA . . . . . 0.532 ' HB1' ' NZ ' ' D' ' 119' ' ' LYS . . . -67.39 -51.66 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.675 HD12 HG22 ' B' ' 127' ' ' ILE . 55.4 mt -53.31 -38.07 30.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.759 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.63 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.8 OUTLIER -63.09 -53.19 57.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.451 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.926 HG23 ' O ' ' B' ' 129' ' ' ASN . 24.9 t -53.28 -49.98 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -30.97 72.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.265 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 28.4 ttm -58.63 -50.82 72.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.776 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -75.75 -36.93 59.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -65.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -96.0 98.64 10.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 34.5 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.906 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.486 0.184 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.44 -53.02 3.21 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.402 2.068 . . . . 0.0 112.131 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.02 -32.39 61.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.306 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.33 -37.15 77.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.874 ' O ' HG23 ' C' ' 12' ' ' VAL . 3.1 mm-40 -68.0 -53.97 21.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.0 OUTLIER -51.92 -40.98 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 10' ' ' MET . . . . . 0.488 ' HE3' HD12 ' C' ' 13' ' ' LEU . 3.3 tpt -61.59 -53.17 59.9 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.713 ' O ' HG23 ' C' ' 15' ' ' VAL . 25.6 tp60 -60.06 -31.56 70.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.771 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.874 HG23 ' O ' ' C' ' 8' ' ' GLU . 87.9 t -63.44 -47.67 90.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.81 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' C' ' 16' ' ' LEU . 13.5 mt -58.38 -46.12 86.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.048 0.452 . . . . 0.0 110.007 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -27.86 68.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.665 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.847 HG13 ' HB3' ' B' ' 108' ' ' ASP . 4.8 t -73.01 -40.64 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.206 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' C' ' 13' ' ' LEU . 7.3 mt -64.06 -39.14 93.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.835 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.86 -39.15 69.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.675 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -66.61 -54.42 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.804 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.631 HD22 HD12 ' B' ' 100' ' ' LEU . 79.9 mt -53.63 -57.29 11.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.39 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.723 ' HA ' HD12 ' C' ' 23' ' ' LEU . 0.9 OUTLIER -50.61 -37.65 41.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.816 179.604 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.41 -49.43 76.56 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.755 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.591 ' HB3' HD22 ' B' ' 100' ' ' LEU . 12.4 mttm -62.13 -34.21 75.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 0.0 110.601 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' C' ' 20' ' ' ARG . 33.6 mt -66.45 -50.46 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.501 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.439 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -59.41 -26.77 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.123 179.295 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.29 -31.21 30.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.713 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' B' ' 100' ' ' LEU . 0.7 OUTLIER -81.17 -34.99 32.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.355 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.24 15.92 5.87 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.634 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -111.17 81.74 1.49 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.93 0.395 . . . . 0.0 109.97 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.439 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -91.54 11.42 24.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.142 179.803 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 50.8 m -75.65 -39.52 57.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.409 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.659 ' HB3' HD11 ' B' ' 96' ' ' ILE . 0.9 OUTLIER -84.62 -18.52 35.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.555 179.458 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.77 -52.9 13.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.018 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.71 -35.11 68.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.438 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.41 ' HG3' ' OG ' ' B' ' 92' ' ' SER . 23.7 mmmt -64.46 -41.55 96.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.185 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.684 HD12 ' CB ' ' C' ' 20' ' ' ARG . 1.8 mt -70.22 -31.73 69.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.692 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -33.96 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.802 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.844 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -71.62 -43.52 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.39 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.71 ' CD2' HD21 ' C' ' 16' ' ' LEU . 2.4 t80 -70.71 -49.88 42.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.412 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.684 ' CA ' HD13 ' C' ' 16' ' ' LEU . 28.9 t80 -57.49 -53.73 54.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.245 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.42 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 39.1 mt-10 -58.92 -49.22 78.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.454 HG22 ' CD2' ' C' ' 47' ' ' PHE . 93.7 m -57.77 -39.22 76.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.612 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.692 HD11 ' CE1' ' C' ' 38' ' ' PHE . 3.5 mt -61.72 -33.54 74.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.292 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.482 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -73.09 -32.38 64.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.911 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -47.04 130.89 9.09 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.372 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.11 -33.61 31.01 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.412 2.074 . . . . 0.0 111.979 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.773 HD11 HD13 ' A' ' 57' ' ' ILE . 0.5 OUTLIER -63.94 -55.26 23.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.213 179.603 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.689 ' CE1' HD21 ' C' ' 51' ' ' LEU . 9.7 t80 -58.02 -42.85 86.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.32 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -56.15 -37.89 70.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.451 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -64.47 -42.01 96.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.226 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.862 HG12 HD21 ' A' ' 53' ' ' LEU . 7.0 mt -58.22 -44.77 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.881 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.689 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -67.94 -35.44 78.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.19 179.678 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 40.1 m -53.86 -49.73 67.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.003 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.797 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -60.98 -46.51 90.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.661 178.688 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.702 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -59.92 -32.14 70.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.18 179.054 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -64.88 -39.67 93.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.035 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 4.9 m -61.72 -43.85 98.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.671 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.787 HG21 HG21 ' D' ' 131' ' ' ILE . 5.3 mt -59.69 -39.62 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.938 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 58' ' ' LYS . . . . . 0.413 ' HA ' ' CG ' ' C' ' 61' ' ' LYS . 0.0 OUTLIER -62.6 -32.56 73.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.487 178.528 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 59' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' C' ' 63' ' ' GLN . 0.0 OUTLIER -61.89 -43.23 99.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.688 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.8 OUTLIER -56.11 -65.01 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.917 178.796 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 58' ' ' LYS . 0.0 OUTLIER -53.84 -23.53 12.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.209 179.589 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.47 1.65 53.46 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.835 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 63' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' C' ' 59' ' ' GLN . 9.8 mt-30 -119.19 -5.64 10.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.939 0.37 . . . . 0.0 111.776 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.98 -46.57 0.44 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.71 0.291 . . . . 0.0 111.349 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.628 -179.329 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 80' ' ' ALA . . . . . 0.745 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.78 0.324 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 81' ' ' VAL . . . . . 0.766 HG12 ' OG1' ' D' ' 132' ' ' THR . 0.0 OUTLIER -170.87 41.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.003 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -94.06 103.45 15.51 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.386 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.894 HG21 ' HA ' ' D' ' 129' ' ' ASN . 0.1 OUTLIER -93.96 -165.58 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.435 179.748 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 0.721 HD23 ' HZ ' ' D' ' 125' ' ' PHE . 2.2 pt? -162.51 -4.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 85' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.2 OUTLIER 60.52 141.7 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.96 0.41 . . . . 0.0 110.82 179.671 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.741 HG23 HG12 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -70.36 -32.18 49.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.429 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.05 -42.16 99.65 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.581 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 88' ' ' ASP . . . . . 0.429 ' HB3' ' NZ ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -75.78 -44.26 42.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.704 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -72.68 -28.5 62.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.974 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' D' ' 86' ' ' ILE . 38.0 t80 -70.48 -41.29 72.91 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.8 -31.77 72.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.201 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 92' ' ' SER . . . . . 0.797 ' C ' HD12 ' D' ' 96' ' ' ILE . 0.1 OUTLIER -65.06 -52.03 58.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.36 179.178 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -56.61 -35.97 68.89 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.445 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -59.21 -45.75 90.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.641 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.14 -55.86 14.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.797 HD12 ' C ' ' D' ' 92' ' ' SER . 4.7 mt -50.92 -33.92 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.082 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.608 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -64.71 -51.14 64.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.95 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -75.93 -21.98 56.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.063 0.459 . . . . 0.0 110.388 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.13 -34.07 26.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.026 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.622 HD12 ' CG2' ' D' ' 96' ' ' ILE . 92.9 mt -106.37 81.08 1.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.04 36.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.116 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.34 11.43 14.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.879 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 103' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' D' ' 106' ' ' GLN . 0.2 OUTLIER 75.97 -67.52 0.23 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.176 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -31.44 71.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.145 0.498 . . . . 0.0 110.045 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.772 ' O ' HD12 ' D' ' 109' ' ' ILE . 2.8 m -72.17 -44.95 62.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.968 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 106' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' D' ' 103' ' ' SER . 3.0 pt20 -63.52 -30.1 71.27 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.622 0.249 . . . . 0.0 110.585 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -39.25 64.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.975 0.417 . . . . 0.0 110.093 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.736 ' CG ' HG22 ' A' ' 15' ' ' VAL . 26.1 m-20 -70.3 -41.88 72.76 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.772 HD12 ' O ' ' D' ' 105' ' ' SER . 4.1 mt -59.96 -49.55 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.372 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.644 ' HA ' HD12 ' D' ' 113' ' ' LEU . 2.3 t -54.89 -36.78 65.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.745 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.596 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.23 -50.89 69.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.981 178.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.842 ' O ' HG23 ' D' ' 116' ' ' VAL . 3.6 mt -61.41 -44.51 97.01 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.193 0.521 . . . . 0.0 109.659 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' D' ' 110' ' ' SER . 2.8 mt -55.66 -43.13 76.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.598 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -61.51 -49.35 77.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.44 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.637 ' CD2' HG21 ' A' ' 12' ' ' VAL . 2.2 mp -60.69 -47.72 84.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.322 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.842 HG23 ' O ' ' D' ' 112' ' ' LEU . 41.3 t -63.02 -38.67 82.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.488 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 25.4 mt-30 -81.07 -12.59 59.27 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.59 133.48 53.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.75 0.309 . . . . 0.0 110.749 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 119' ' ' LYS . . . . . 0.532 ' NZ ' ' HB1' ' B' ' 130' ' ' ALA . 0.0 OUTLIER -57.38 -58.79 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.462 -179.341 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -50.25 74.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.5 t80 -56.96 -39.86 75.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.494 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 122' ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 20.0 mt-30 -58.69 -47.96 82.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.114 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.427 ' HB3' HG12 ' B' ' 127' ' ' ILE . 68.2 m-20 -61.59 -42.47 98.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.995 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.887 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.71 -49.23 75.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.721 ' HZ ' HD23 ' D' ' 84' ' ' LEU . 10.5 t80 -60.16 -36.71 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.673 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 126' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 19.6 mmtt -62.81 -34.74 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.405 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 1.078 HD11 HD11 ' B' ' 127' ' ' ILE . 10.3 mt -69.38 -50.03 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.694 ' O ' ' HB ' ' D' ' 132' ' ' THR . 27.6 t-80 -63.5 -48.43 77.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.774 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.894 ' HA ' HG21 ' D' ' 83' ' ' ILE . 1.3 t30 -55.57 -60.36 3.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.042 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.46 -52.07 66.78 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.787 HG21 HG21 ' C' ' 57' ' ' ILE . 56.4 mt -58.63 -41.51 82.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.431 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.766 ' OG1' HG12 ' D' ' 81' ' ' VAL . 0.5 OUTLIER -61.58 -48.57 80.38 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.152 0.501 . . . . 0.0 109.654 179.042 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' D' ' 132' ' ' THR . 47.1 t -57.86 -46.12 87.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.276 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -63.44 -32.28 73.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.039 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 135' ' ' MET . . . . . 0.45 ' HE2' HG22 ' D' ' 131' ' ' ILE . 0.0 OUTLIER -60.53 -44.35 96.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.549 179.522 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -79.92 -36.47 36.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.78 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -56.1 18.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -95.69 98.1 10.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 t30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.603 0.239 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.437 ' HA ' ' HG2' ' A' ' 8' ' ' GLU . 59.9 Cg_endo -71.43 -21.88 25.63 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.568 2.179 . . . . 0.0 112.548 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.38 -31.63 67.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.64 -41.88 78.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.0 pt-20 -67.91 -42.0 81.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.754 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.713 ' HD2' HD22 ' A' ' 42' ' ' LEU . 2.6 tptt -65.98 -44.9 83.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.4 -38.63 87.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.579 ' NE2' HG23 ' A' ' 15' ' ' VAL . 32.7 tp60 -70.86 -35.24 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 8' ' ' GLU . 19.5 t -60.46 -54.35 36.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.351 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.689 ' HA ' HD12 ' A' ' 16' ' ' LEU . 15.5 mt -57.93 -43.83 86.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.884 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -28.39 69.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.554 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.819 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.2 t -73.78 -39.47 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.802 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 13' ' ' LEU . 23.3 mt -61.83 -39.69 92.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.647 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.36 -40.22 70.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -65.36 -54.71 24.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.655 HD12 HD11 ' D' ' 112' ' ' LEU . 77.2 mt -52.98 -53.75 45.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.075 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.775 ' HB2' HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -50.13 -45.88 53.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.825 179.328 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.16 67.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.916 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.771 ' HB3' HD22 ' D' ' 100' ' ' LEU . 1.1 mttm -66.76 -31.96 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.862 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.725 HD21 HG23 ' D' ' 96' ' ' ILE . 60.2 mt -67.41 -50.58 58.86 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.085 0.469 . . . . 0.0 110.543 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.6 OUTLIER -62.86 -26.5 68.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.908 179.055 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.79 -33.32 27.33 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.74 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.8 OUTLIER -78.39 -33.52 48.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.491 -179.726 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.83 25.79 3.81 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.575 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -122.7 83.86 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.916 0.389 . . . . 0.0 109.999 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -94.05 13.2 23.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.562 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.465 HG22 ' NE2' ' A' ' 31' ' ' GLN . 1.4 m -78.59 -55.75 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.181 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.624 ' HB3' HD11 ' D' ' 96' ' ' ILE . 23.1 mp0 -67.48 -14.5 62.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.607 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -51.22 -45.63 61.97 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.736 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -57.5 -33.54 68.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.565 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -70.6 -35.68 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.398 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.775 HD12 ' HB2' ' A' ' 20' ' ' ARG . 2.9 mt -70.4 -36.63 74.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.371 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.4 p -73.14 -32.1 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.137 0.494 . . . . 0.0 109.907 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.834 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -75.17 -44.32 47.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.549 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.549 ' HD2' HD21 ' A' ' 16' ' ' LEU . 3.1 t80 -68.72 -47.29 66.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.286 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.579 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -56.3 -53.46 56.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.928 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -51.41 69.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.536 HG22 ' CE2' ' A' ' 47' ' ' PHE . 89.4 m -55.56 -39.57 70.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.713 HD22 ' HD2' ' A' ' 9' ' ' LYS . 6.6 mt -62.88 -35.44 80.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.547 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -72.37 -28.87 63.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.088 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 47' ' ' PHE . 67.1 m -42.45 128.92 2.9 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.447 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.82 -58.64 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.571 2.181 . . . . 0.0 112.67 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.825 HD13 HG12 ' C' ' 57' ' ' ILE . 0.5 OUTLIER -57.7 -34.3 69.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.536 ' CE2' HG22 ' A' ' 41' ' ' THR . 9.2 t80 -62.32 -47.81 82.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.105 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -55.89 -37.57 69.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.026 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.9 -41.1 97.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.352 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.605 HG12 HD21 ' C' ' 53' ' ' LEU . 2.4 mt -60.13 -45.71 95.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.715 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.561 HD12 ' NZ ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -64.09 -44.23 92.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.342 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.0 m -54.56 -39.58 67.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.0 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.797 HD21 HG12 ' C' ' 50' ' ' ILE . 0.9 OUTLIER -61.5 -50.43 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.012 178.892 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.557 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 1.1 mp0 -59.73 -31.84 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.943 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -40.24 96.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.931 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.7 t -60.83 -48.82 80.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.687 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.772 HG21 HG21 ' B' ' 131' ' ' ILE . 67.4 mt -59.8 -34.93 57.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.923 178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -42.45 89.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.037 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -62.81 -40.74 98.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.945 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.9 mt -55.53 -42.04 74.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.637 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -63.69 -50.52 68.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.65 -44.54 97.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.6 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -62.02 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.26 87.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.744 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.878 0.37 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.744 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -172.46 56.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.918 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -74.07 143.8 45.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.856 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -98.27 -159.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.971 HD13 ' HB3' ' C' ' 37' ' ' ALA . 25.1 tp -155.22 -36.87 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.04 104.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.508 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.944 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -49.88 -25.01 2.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.626 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.26 -48.38 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.069 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.4 -34.73 58.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.803 178.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.744 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.42 -29.04 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.453 179.387 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.552 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 8.2 t80 -72.39 -50.54 25.78 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.904 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.5 t -63.31 -27.2 69.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.484 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' SER . . . . . 0.419 ' C ' HD12 ' B' ' 96' ' ' ILE . 55.8 m -65.33 -51.57 59.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.651 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.717 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -58.36 -38.33 77.01 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.564 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -59.39 -39.89 84.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.581 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.404 ' O ' ' N ' ' B' ' 99' ' ' THR . 0.7 OUTLIER -69.73 -53.52 18.07 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.228 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.687 HG23 HD21 ' C' ' 23' ' ' LEU . 9.4 mt -51.33 -39.69 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.041 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.92 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -62.51 -52.06 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.039 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -80.0 -4.45 52.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.503 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' THR . . . . . 0.404 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -96.66 -34.0 11.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.304 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.952 HD12 HD11 ' B' ' 109' ' ' ILE . 71.8 mt -91.62 -54.92 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.076 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.87 38.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.695 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.44 27.37 5.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.454 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 50.1 m 65.03 -73.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.597 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -60.39 -26.8 66.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.847 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.868 ' O ' HD12 ' B' ' 109' ' ' ILE . 53.9 p -73.12 -50.65 21.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.199 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -62.46 -30.84 71.54 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' B' ' 104' ' ' GLN . 4.3 pt-20 -73.87 -39.73 63.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.371 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.727 ' HB3' HG13 ' C' ' 15' ' ' VAL . 24.8 m-20 -71.23 -42.1 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.952 HD11 HD12 ' B' ' 100' ' ' LEU . 4.1 mt -60.13 -49.55 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.818 178.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.585 ' HA ' HD12 ' B' ' 113' ' ' LEU . 4.3 t -57.32 -37.33 72.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.546 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.644 ' CD2' HG22 ' C' ' 12' ' ' VAL . 7.6 tt -58.0 -48.1 81.04 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.972 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.757 HD21 ' CG1' ' C' ' 15' ' ' VAL . 3.1 mt -63.5 -43.59 96.8 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.624 ' CD1' HG22 ' B' ' 109' ' ' ILE . 3.2 mt -55.73 -43.95 77.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.442 179.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.18 -46.18 91.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.741 ' CD2' HG21 ' C' ' 12' ' ' VAL . 5.7 mp -61.81 -45.93 91.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.977 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.944 HG13 HG12 ' B' ' 86' ' ' ILE . 73.3 t -60.31 -46.37 95.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.571 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.458 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 52.1 mt-30 -74.57 -16.76 60.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.498 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 50.1 t-20 -59.62 131.36 50.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.849 0.357 . . . . 0.0 110.385 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -54.42 -58.78 6.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.979 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.21 -50.41 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.399 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.498 ' HB3' ' HB3' ' B' ' 118' ' ' ASN . 11.7 t80 -58.23 -56.22 24.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.94 0.4 . . . . 0.0 110.522 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -55.48 -30.72 61.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.8 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.549 ' HB3' HG12 ' D' ' 127' ' ' ILE . 71.0 m-20 -68.35 -51.13 47.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.533 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.885 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -59.32 -47.92 83.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.615 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.584 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 4.4 t80 -58.82 -34.94 72.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.636 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -65.35 -37.53 87.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.434 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 1.034 HD11 HD11 ' D' ' 127' ' ' ILE . 13.0 mt -62.98 -49.78 82.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.666 ' O ' ' HB ' ' B' ' 132' ' ' THR . 23.3 t-80 -63.49 -48.94 75.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.91 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.851 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.1 t30 -55.22 -60.2 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.931 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.17 -52.06 66.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.74 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.774 HD12 HG22 ' B' ' 127' ' ' ILE . 68.9 mt -57.36 -46.7 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.21 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.856 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.5 OUTLIER -57.12 -46.05 82.96 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.277 0.56 . . . . 0.0 109.664 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.851 HG23 ' O ' ' B' ' 129' ' ' ASN . 90.1 t -56.42 -49.46 76.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.155 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -63.75 -31.02 72.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.341 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' MET . . . . . 0.402 ' HE3' ' HA ' ' B' ' 132' ' ' THR . 27.7 ttm -56.35 -60.05 4.08 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -67.67 -28.22 67.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -42.73 77.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -108.49 -177.9 3.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.057 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.913 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.53 0.205 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -66.09 -43.96 8.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.522 2.148 . . . . 0.0 112.026 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.74 -30.36 43.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.238 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.14 84.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.814 ' O ' HG23 ' C' ' 12' ' ' VAL . 5.7 mm-40 -61.73 -54.03 48.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.704 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.7 tmmm? -60.98 -42.45 98.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.468 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.41 -44.83 96.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.142 0.496 . . . . 0.0 109.692 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.496 ' O ' ' HG3' ' C' ' 14' ' ' GLN . 1.9 tp-100 -66.56 -35.96 81.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.365 178.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.814 HG23 ' O ' ' C' ' 8' ' ' GLU . 43.4 t -60.26 -43.4 93.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.475 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.765 HD13 ' HZ3' ' C' ' 43' ' ' LYS . 7.2 mt -62.5 -52.73 62.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.887 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 14' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' C' ' 11' ' ' GLN . 0.0 OUTLIER -67.16 -27.68 67.49 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.656 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.757 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.3 t -72.86 -37.05 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.858 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.73 HD21 ' CD2' ' C' ' 38' ' ' PHE . 9.7 mt -64.13 -46.96 81.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.749 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.4 -38.8 91.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.636 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -53.4 51.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.976 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.616 HD12 HD11 ' B' ' 112' ' ' LEU . 39.2 mt -51.98 -57.36 9.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.72 ' HB2' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -52.18 -37.47 54.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.875 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.45 -47.02 92.19 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.913 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.724 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.2 mttm -64.21 -31.7 73.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.733 0.302 . . . . 0.0 110.698 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.687 HD21 HG23 ' B' ' 96' ' ' ILE . 40.3 mt -68.21 -50.43 54.2 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.774 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -32.28 66.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -82.75 -27.66 30.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.153 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' C' ' 23' ' ' LEU . 3.6 mmtp -77.27 -35.18 55.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.11 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.51 5.2 16.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -106.81 87.04 2.43 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.021 0.439 . . . . 0.0 110.146 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.45 14.62 14.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.026 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -84.01 -52.08 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.448 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.42 ' HB3' HD11 ' B' ' 96' ' ' ILE . 11.0 mp0 -72.57 -20.96 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.645 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -53.03 -45.36 67.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.93 -32.65 66.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.197 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -67.6 -45.14 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.258 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.72 HD12 ' HB2' ' C' ' 20' ' ' ARG . 2.0 mt -61.81 -37.67 85.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.437 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 22.8 p -71.46 -31.66 67.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.119 0.485 . . . . 0.0 109.911 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.971 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.39 -44.8 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.363 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.73 ' CD2' HD21 ' C' ' 16' ' ' LEU . 2.6 t80 -71.6 -44.72 63.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.146 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.577 ' HB2' ' O ' ' C' ' 35' ' ' LEU . 8.3 t80 -53.62 -53.22 54.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.003 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -52.12 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 87.2 m -54.51 -33.6 60.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.946 0.403 . . . . 0.0 110.794 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 0.3 OUTLIER -68.52 -37.6 80.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.765 ' HZ3' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -69.44 -27.91 65.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.805 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -49.13 124.38 13.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.261 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.62 -37.65 36.06 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.405 2.07 . . . . 0.0 112.052 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.719 HD11 HD11 ' A' ' 57' ' ' ILE . 0.9 OUTLIER -63.94 -47.89 78.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.1 179.532 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.782 ' CE1' HD21 ' C' ' 51' ' ' LEU . 20.9 t80 -57.75 -47.54 82.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.416 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -55.92 -37.41 68.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.372 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -61.91 -42.88 99.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.256 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.797 HG12 HD21 ' A' ' 53' ' ' LEU . 2.7 mt -58.46 -46.5 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.544 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.782 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -65.83 -35.62 81.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.169 179.52 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 28.3 m -53.59 -52.16 60.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.101 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.605 HD21 HG12 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -59.35 -44.02 92.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.783 178.836 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.494 HE21 ' HB2' ' B' ' 124' ' ' ALA . 4.0 mt-30 -60.31 -35.54 75.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.305 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.38 -41.67 98.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.189 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -46.41 90.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.185 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.825 HG12 HD13 ' A' ' 46' ' ' LEU . 34.8 mt -59.63 -37.68 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.218 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 58' ' ' LYS . . . . . 0.421 ' HA ' ' CE ' ' C' ' 61' ' ' LYS . 16.1 tppt? -61.85 -37.73 85.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.824 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -38.26 88.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.561 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.1 mt -62.95 -60.24 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.477 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.639 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 0.0 OUTLIER -57.74 -20.72 36.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.414 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.49 -20.16 20.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.102 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -134.73 31.94 3.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.854 0.327 . . . . 0.0 111.35 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.658 HD11 ' SD ' ' D' ' 135' ' ' MET . 0.6 OUTLIER -64.64 91.85 0.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.849 0.357 . . . . 0.0 110.848 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.997 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 80' ' ' ALA . . . . . 0.735 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.8 0.333 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 81' ' ' VAL . . . . . 0.735 HG13 ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER -170.03 33.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -88.65 136.0 33.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.637 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.585 ' N ' HD13 ' D' ' 83' ' ' ILE . 1.0 OUTLIER -87.15 171.21 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.967 0.413 . . . . 0.0 111.142 -179.829 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 0.834 HD13 ' HB3' ' A' ' 37' ' ' ALA . 48.0 tp -129.26 -39.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.21 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 57.33 107.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.347 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.845 HG12 HG13 ' D' ' 116' ' ' VAL . 0.8 OUTLIER -49.82 -25.8 2.43 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.731 -179.399 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.45 -47.47 81.73 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.358 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -77.13 -34.56 56.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.705 HD11 HG21 ' D' ' 116' ' ' VAL . 0.1 OUTLIER -72.22 -30.03 64.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.514 179.432 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.521 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.2 t80 -72.26 -48.16 44.71 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 97.4 p -63.62 -28.39 69.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.421 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 92' ' ' SER . . . . . 0.738 ' O ' HD12 ' D' ' 96' ' ' ILE . 22.9 t -63.76 -53.12 55.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.765 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.5 OUTLIER -58.62 -34.81 71.57 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.338 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -59.66 -42.18 92.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.602 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -68.78 -55.23 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.738 HD12 ' O ' ' D' ' 92' ' ' SER . 4.6 mt -52.95 -33.9 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.23 179.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.764 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.1 OUTLIER -66.66 -49.11 67.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.78 -21.27 57.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.37 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.05 -37.02 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.918 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.771 HD22 ' HB3' ' A' ' 22' ' ' LYS . 21.5 mt -107.55 75.5 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -95.26 37.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.26 -178.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.07 28.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.916 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 22.6 t 66.96 -70.59 0.11 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.728 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -34.81 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.05 0.452 . . . . 0.0 110.483 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.861 ' O ' HD12 ' D' ' 109' ' ' ILE . 1.3 m -67.39 -43.44 81.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -34.46 73.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.03 -42.55 72.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.065 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.752 ' CG ' HG22 ' A' ' 15' ' ' VAL . 47.0 m-20 -70.46 -42.26 71.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.653 0.74 . . . . 0.0 109.097 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.861 HD12 ' O ' ' D' ' 105' ' ' SER . 4.2 mt -61.04 -49.54 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.681 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.585 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.1 m -57.59 -33.16 67.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.689 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.634 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -57.42 -51.56 68.93 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.873 178.867 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.841 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 mt -63.48 -42.29 98.56 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.409 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.626 ' CD1' HG22 ' D' ' 109' ' ' ILE . 5.6 mt -57.54 -41.41 80.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.777 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.8 -50.08 73.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.954 0.407 . . . . 0.0 110.497 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.492 HD21 HG21 ' A' ' 12' ' ' VAL . 1.4 mp -60.97 -48.85 79.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.143 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.845 HG13 HG12 ' D' ' 86' ' ' ILE . 47.9 t -60.65 -40.37 84.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.563 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.436 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 44.4 mt-30 -82.21 -10.77 59.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.777 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 118' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.9 OUTLIER -61.43 140.36 58.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 110.55 179.552 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -64.77 -58.28 6.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.306 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.35 -50.08 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.885 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.2 t80 -55.68 -47.31 76.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.451 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.12 -42.7 69.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.469 ' HB3' HG12 ' B' ' 127' ' ' ILE . 24.7 m120 -60.48 -49.52 77.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.0 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.836 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.7 -48.21 78.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.045 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.596 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 10.5 t80 -59.02 -36.49 75.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -64.91 -36.58 84.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 1.034 HD11 HD11 ' B' ' 127' ' ' ILE . 15.5 mt -63.4 -49.72 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 0.0 110.58 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.634 ' O ' ' HB ' ' D' ' 132' ' ' THR . 17.5 t-80 -66.41 -40.83 89.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.077 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.91 ' O ' HG23 ' D' ' 133' ' ' VAL . 0.2 OUTLIER -55.86 -60.88 2.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.181 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.41 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.752 HD12 HG22 ' D' ' 127' ' ' ILE . 46.3 mt -53.83 -35.8 28.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.634 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.3 -50.82 70.13 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.154 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.91 HG23 ' O ' ' D' ' 129' ' ' ASN . 14.4 t -52.94 -50.76 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.037 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -30.8 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.734 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 135' ' ' MET . . . . . 0.658 ' SD ' HD11 ' C' ' 64' ' ' LEU . 29.1 ttm -58.76 -62.05 2.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -69.85 -36.0 75.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -66.09 -64.36 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.83 128.99 38.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.894 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.6 t-20 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.553 0.216 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 24.1 Cg_exo -62.58 -47.95 8.3 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.547 2.164 . . . . 0.0 112.092 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.28 -27.53 6.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.363 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.04 89.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.801 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.2 mt-10 -68.08 -49.08 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.711 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.83 ' HD2' HD22 ' A' ' 42' ' ' LEU . 3.9 tptt -60.1 -44.46 94.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.605 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.447 ' HA ' ' HE2' ' A' ' 10' ' ' MET . 1.8 mmt -61.4 -44.47 97.09 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.7 tp60 -65.81 -37.38 86.1 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 8' ' ' GLU . 43.1 t -59.56 -51.47 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.383 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 16' ' ' LEU . 7.7 mt -57.49 -45.25 85.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.099 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.03 -28.24 68.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.666 178.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.812 HG13 ' HB3' ' D' ' 108' ' ' ASP . 2.6 t -72.7 -39.93 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.843 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.541 HD13 ' CA ' ' A' ' 39' ' ' TYR . 34.1 mt -63.28 -40.08 96.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.918 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -69.38 -44.11 72.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -63.59 -54.14 40.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.571 HD12 HD11 ' D' ' 112' ' ' LEU . 68.8 mt -52.16 -57.33 9.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.967 0.413 . . . . 0.0 110.604 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.631 ' CB ' HD12 ' A' ' 35' ' ' LEU . 3.6 tmm_? -50.03 -37.81 34.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.015 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.12 -48.23 87.16 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.168 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.749 ' HB3' HD22 ' D' ' 100' ' ' LEU . 13.7 mttm -61.37 -35.71 78.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.716 0.293 . . . . 0.0 111.005 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.849 HD23 HD21 ' D' ' 100' ' ' LEU . 24.6 mt -65.09 -50.45 66.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.681 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.86 -27.02 66.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.173 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.58 -33.26 28.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.578 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -81.6 -30.19 33.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.364 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.63 23.56 4.34 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.411 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -114.74 80.56 1.43 Allowed 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.013 0.435 . . . . 0.0 110.028 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.69 23.58 6.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.209 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -92.99 -44.47 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.677 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.608 ' HB3' HD11 ' D' ' 96' ' ' ILE . 4.4 mp0 -72.83 -23.39 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.404 ' ND2' ' HG2' ' A' ' 20' ' ' ARG . 4.1 m120 -46.86 -47.61 21.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.696 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.77 -33.13 66.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.953 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HA ' ' CD1' ' D' ' 84' ' ' LEU . 3.2 mmmm -75.12 -39.52 60.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.954 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.631 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.8 mt -68.64 -32.59 72.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.228 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -33.89 62.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.103 0.478 . . . . 0.0 109.889 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.971 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -74.39 -48.14 29.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.507 179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.738 ' CE2' HD11 ' A' ' 42' ' ' LEU . 45.1 t80 -62.26 -51.89 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.33 0.586 . . . . 0.0 109.889 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.566 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.86 -53.87 49.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.778 179.607 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -57.83 -47.64 82.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.845 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.46 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 78.4 m -58.37 -36.39 73.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.577 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.83 HD22 ' HD2' ' A' ' 9' ' ' LYS . 7.6 mt -65.65 -34.01 77.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.297 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.473 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -80.08 -27.29 39.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.325 -179.747 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.86 138.47 2.31 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.509 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.04 -48.86 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.521 2.147 . . . . 0.0 112.36 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.76 HD11 HD11 ' C' ' 57' ' ' ILE . 2.7 tp -63.52 -46.06 87.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.989 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.923 ' CE1' HD21 ' A' ' 51' ' ' LEU . 22.5 t80 -57.58 -46.84 83.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.35 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -55.84 -39.25 71.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.285 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.29 96.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.37 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.786 HG12 HD21 ' C' ' 53' ' ' LEU . 4.0 mt -59.84 -42.77 90.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.738 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.923 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -69.45 -37.59 77.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.471 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 83.9 m -53.71 -48.9 69.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.185 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.769 HD21 HG12 ' C' ' 50' ' ' ILE . 1.1 tt -61.78 -51.06 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.037 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.653 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -58.87 -31.1 68.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.599 179.681 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -66.72 -39.5 88.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.219 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -39.52 93.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.845 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.677 HG21 HG21 ' B' ' 131' ' ' ILE . 1.5 mt -62.5 -41.0 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.273 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -59.19 -43.83 92.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.331 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -58.98 -42.42 89.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.385 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.592 HD13 HD21 ' C' ' 46' ' ' LEU . 2.1 mt -58.64 -41.43 86.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.781 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.624 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 8.8 mtmm -63.96 -44.6 92.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.48 -33.07 67.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -76.01 -49.41 17.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.794 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -59.71 106.59 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.738 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.751 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.991 0.424 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.751 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -178.83 51.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.96 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.47 132.58 47.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.024 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.683 HG22 ' H ' ' B' ' 84' ' ' LEU . 1.2 mm -88.22 -172.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.355 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.779 ' CD2' HD22 ' B' ' 89' ' ' LEU . 13.6 tp -153.32 -36.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.502 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.58 108.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.937 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -52.81 -26.17 10.2 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.149 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.75 -49.12 76.29 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.074 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -34.07 60.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.258 0.551 . . . . 0.0 109.694 178.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.779 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.23 -29.24 64.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.397 179.298 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 8.8 t80 -72.23 -50.48 27.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.028 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 1.1 m -63.74 -27.08 68.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.492 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.0 m -65.52 -50.82 63.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.666 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.771 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.8 OUTLIER -59.69 -38.93 82.92 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.676 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.418 ' HE3' ' CE1' ' B' ' 90' ' ' PHE . 1.1 mptm? -59.4 -38.65 81.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.578 179.198 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' B' ' 95' ' ' HIS . 0.6 OUTLIER -70.26 -49.14 52.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.161 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' B' ' 93' ' ' LEU . 17.3 mt -53.52 -45.51 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.117 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.848 ' HA ' HD13 ' B' ' 109' ' ' ILE . 1.4 tt0 -58.62 -49.1 78.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.021 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -1.08 48.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 110.586 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' THR . . . . . 0.437 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.8 m -101.23 -31.52 10.96 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.453 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 1.002 HD21 HD23 ' C' ' 23' ' ' LEU . 53.3 mt -92.07 -50.25 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.191 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.52 39.46 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.522 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.6 OUTLIER -101.16 20.1 16.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 179.731 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.2 t 65.73 -71.69 0.08 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.796 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' B' ' 102' ' ' ASP . 65.6 tp60 -59.95 -30.6 69.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.171 0.51 . . . . 0.0 110.048 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.802 ' O ' HD12 ' B' ' 109' ' ' ILE . 2.5 m -70.31 -39.95 74.49 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.534 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -33.91 76.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.015 0.436 . . . . 0.0 110.244 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -40.96 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.499 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.761 ' HB3' HG13 ' C' ' 15' ' ' VAL . 50.6 m-20 -70.61 -43.65 68.88 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.974 HD11 HD12 ' B' ' 100' ' ' LEU . 5.4 mt -59.43 -49.2 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.369 178.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.587 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.1 m -56.69 -34.29 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.07 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.602 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -58.01 -51.29 70.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.994 178.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.834 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.3 mt -63.66 -40.62 97.3 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.652 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.4 mt -58.46 -43.97 89.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.728 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.425 ' HA ' ' OE1' ' B' ' 117' ' ' GLN . 4.9 mt-30 -61.01 -47.44 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.992 0.425 . . . . 0.0 110.693 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.458 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.5 mp -61.24 -46.15 91.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.728 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.937 HG13 HG12 ' B' ' 86' ' ' ILE . 84.8 t -59.95 -47.58 91.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.215 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.527 ' HG2' ' CZ ' ' B' ' 90' ' ' PHE . 5.7 mt-30 -71.65 -23.63 61.72 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.553 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 19.1 t-20 -51.48 127.46 20.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' LYS . . . . . 0.567 ' HE3' ' HB1' ' D' ' 130' ' ' ALA . 2.7 tttm -52.93 -59.04 5.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.143 -178.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.52 -50.42 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.117 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.553 ' HB3' ' HB3' ' B' ' 118' ' ' ASN . 11.3 t80 -56.01 -51.19 68.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -39.64 60.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.461 ' O ' HG13 ' B' ' 127' ' ' ILE . 4.0 m-20 -67.37 -46.89 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.639 ' HB2' ' NE2' ' C' ' 54' ' ' GLN . . . -56.58 -48.97 76.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.669 ' CG ' HD12 ' B' ' 86' ' ' ILE . 13.2 t80 -60.72 -36.76 79.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.055 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -38.98 91.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.542 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.67 HG22 HD12 ' B' ' 131' ' ' ILE . 6.8 mt -64.7 -49.3 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.996 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.605 ' O ' ' HB ' ' B' ' 132' ' ' THR . 18.2 t60 -67.34 -30.61 70.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.181 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.894 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.4 t30 -64.27 -60.83 2.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.06 -52.1 46.31 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.677 HG21 HG21 ' A' ' 57' ' ' ILE . 50.2 mt -53.59 -36.8 29.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.524 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.605 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.9 OUTLIER -61.64 -52.42 64.44 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.807 0.813 . . . . 0.0 108.823 178.062 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.894 HG23 ' O ' ' B' ' 129' ' ' ASN . 15.5 t -54.53 -47.89 70.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.449 -1.251 . . . . 0.0 110.648 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -63.81 -32.6 74.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.534 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 29.7 ttm -57.84 -56.79 17.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.814 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -67.49 -34.78 77.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.97 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -31.09 67.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.23 96.28 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 m120 . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.767 0.318 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -68.75 -40.65 6.84 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.669 2.246 . . . . 0.0 111.963 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.67 -27.17 10.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.376 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.59 81.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.587 ' O ' HG23 ' C' ' 12' ' ' VAL . 1.6 mm-40 -68.05 -49.05 63.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 5.4 ttpt -58.76 -44.31 90.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.713 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.7 tpt -61.23 -39.25 89.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.995 0.426 . . . . 0.0 109.864 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.555 ' O ' HG23 ' C' ' 15' ' ' VAL . 33.2 tp60 -72.41 -32.77 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.528 178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.602 HG22 HD23 ' B' ' 111' ' ' LEU . 21.8 t -62.45 -55.11 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.467 179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.886 ' HA ' HD12 ' C' ' 16' ' ' LEU . 16.5 mt -57.95 -44.44 86.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.929 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -28.38 68.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.643 178.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.833 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.2 t -72.93 -40.51 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.833 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.886 HD12 ' HA ' ' C' ' 13' ' ' LEU . 6.1 mt -62.23 -40.0 94.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.37 -43.37 73.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.776 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -54.4 39.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.545 HD12 HD11 ' B' ' 112' ' ' LEU . 79.5 mt -52.26 -53.92 37.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 110.571 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.717 ' CA ' HD12 ' C' ' 35' ' ' LEU . 3.2 tpt85 -49.91 -41.69 46.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.667 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.3 -48.42 83.7 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.029 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.595 ' CB ' HD22 ' B' ' 100' ' ' LEU . 6.3 mmtp -57.01 -38.53 73.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.017 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 1.002 HD23 HD21 ' B' ' 100' ' ' LEU . 23.6 mt -64.41 -50.53 67.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.781 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -26.81 62.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.413 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.43 -33.24 28.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.616 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.413 ' HD2' ' O ' ' C' ' 22' ' ' LYS . 6.5 mptt -81.81 -32.44 31.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.418 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.39 12.94 7.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.659 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 2.9 m-20 -103.87 79.66 1.67 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 110.097 179.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.23 17.23 8.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.15 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 51.6 m -87.31 -51.28 6.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.494 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -72.21 -24.74 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.604 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -46.75 -47.6 20.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.018 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.86 -32.47 65.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.98 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -70.18 -39.33 75.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.114 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.717 HD12 ' CA ' ' C' ' 20' ' ' ARG . 3.3 mt -65.63 -33.15 75.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.387 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.15 -33.95 56.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.909 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.733 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.47 -42.35 65.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.515 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.502 ' HD2' HD21 ' C' ' 16' ' ' LEU . 3.2 t80 -73.63 -38.94 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.549 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.766 ' HA ' HD13 ' C' ' 16' ' ' LEU . 28.4 t80 -66.06 -53.64 35.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.112 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.441 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 12.8 mt-10 -60.24 -45.34 93.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.895 HG22 ' CD2' ' C' ' 47' ' ' PHE . 87.8 m -56.41 -43.33 79.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.403 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.546 ' HB3' HD21 ' C' ' 13' ' ' LEU . 3.0 mt -59.19 -37.04 76.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.041 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.48 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.5 OUTLIER -73.99 -29.03 61.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.883 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.08 142.02 4.23 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.15 -46.31 1.11 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.44 2.093 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.592 HD21 HD13 ' A' ' 60' ' ' LEU . 3.2 mm? -57.91 -55.37 35.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.038 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.895 ' CD2' HG22 ' C' ' 41' ' ' THR . 1.9 t80 -54.87 -47.64 73.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.857 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.61 -33.54 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.416 ' HB3' HD11 ' A' ' 53' ' ' LEU . 9.2 tt0 -70.47 -37.78 74.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.576 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.769 HG12 HD21 ' A' ' 53' ' ' LEU . 31.5 mt -64.68 -42.54 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.012 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.788 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -68.38 -37.89 80.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.862 0.363 . . . . 0.0 110.17 179.634 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 62.8 m -53.95 -49.01 69.68 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.786 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -59.19 -43.29 92.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.461 178.412 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.639 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -62.43 -33.2 74.33 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.63 178.71 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.16 -40.7 94.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.801 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 14.4 t -60.85 -50.55 72.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.863 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.892 HG21 HG21 ' D' ' 131' ' ' ILE . 49.7 mt -59.91 -35.85 63.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.931 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -40.07 87.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.205 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -39.32 92.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.125 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' C' ' 57' ' ' ILE . 2.3 mt -55.99 -47.23 78.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.607 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.592 ' HE3' HG23 ' D' ' 131' ' ' ILE . 0.0 OUTLIER -65.52 -44.08 88.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.867 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.13 -48.47 85.78 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -59.78 -43.45 94.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.433 HD12 ' O ' ' C' ' 60' ' ' LEU . 2.0 mt -81.24 96.7 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.83 0.348 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 31.1 m 42.02 53.93 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.153 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -65.55 144.86 56.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.499 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.718 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.0 OUTLIER -99.27 -169.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.327 0.584 . . . . 0.0 111.436 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 0.971 HD13 ' HB3' ' A' ' 37' ' ' ALA . 2.6 tp 179.64 53.39 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.163 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 85' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' D' ' 84' ' ' LEU . 0.6 OUTLIER -34.39 121.05 0.48 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.476 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.938 HG12 HG13 ' D' ' 116' ' ' VAL . 0.7 OUTLIER -48.91 -28.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.356 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.33 -50.37 74.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.191 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -37.11 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.279 0.561 . . . . 0.0 109.646 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.855 HD23 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -66.8 -29.3 69.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.224 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -69.46 -50.02 49.51 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.204 0.526 . . . . 0.0 109.601 178.756 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 91.1 p -58.65 -31.22 67.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.028 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 92' ' ' SER . . . . . 0.543 ' C ' HD12 ' D' ' 96' ' ' ILE . 0.3 OUTLIER -63.82 -52.43 60.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.452 179.523 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.732 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -61.65 -40.58 95.42 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.328 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 94' ' ' LYS . . . . . 0.428 ' HE2' HD22 ' D' ' 113' ' ' LEU . 33.5 mmtt -59.81 -38.73 82.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.497 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 95' ' ' HIS . . . . . 0.4 ' CD2' ' CD ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -72.2 -48.74 40.83 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.335 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.716 HG23 HD21 ' A' ' 23' ' ' LEU . 14.1 mt -54.6 -44.49 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.522 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.915 ' HA ' HD13 ' D' ' 109' ' ' ILE . 14.7 pt20 -61.76 -44.57 96.63 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.654 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 98' ' ' HIS . . . . . 0.411 ' N ' ' HG3' ' D' ' 97' ' ' GLN . 1.0 OUTLIER -84.31 -0.88 54.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.919 0.39 . . . . 0.0 110.564 179.162 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 99' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.3 m -101.44 -33.93 9.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.401 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 1.096 HD12 HD11 ' D' ' 109' ' ' ILE . 75.7 mt -87.67 -50.81 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.466 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.35 41.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.503 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 102' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.5 OUTLIER -103.92 21.3 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.628 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.38 -73.27 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.555 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 104' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -58.76 -29.85 67.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.14 0.495 . . . . 0.0 109.811 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.83 ' O ' HD12 ' D' ' 109' ' ' ILE . 1.6 m -69.83 -42.25 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.364 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -31.38 72.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.092 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.6 -41.6 68.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.757 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.812 ' HB3' HG13 ' A' ' 15' ' ' VAL . 24.8 m-20 -70.58 -44.82 66.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 1.096 HD11 HD12 ' D' ' 100' ' ' LEU . 5.2 mt -59.64 -49.04 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.441 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.6 ' HA ' HD12 ' D' ' 113' ' ' LEU . 27.9 t -56.67 -33.81 66.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.067 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.646 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -59.26 -51.32 70.45 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.039 179.125 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.877 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.5 mt -61.7 -43.15 99.41 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.636 ' CD1' HG22 ' D' ' 109' ' ' ILE . 4.5 mt -55.87 -49.61 72.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.589 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 114' ' ' GLN . . . . . 0.421 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 6.7 mt-30 -61.32 -43.12 99.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.229 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.706 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.9 mp -61.08 -40.05 92.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.567 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.938 HG13 HG12 ' D' ' 86' ' ' ILE . 64.2 t -66.13 -53.85 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.407 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -65.15 -16.29 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.844 -179.484 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 118' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 1.0 OUTLIER -54.07 129.38 34.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.736 0.303 . . . . 0.0 110.698 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -58.63 7.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.584 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -44.7 88.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.485 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 19.1 t80 -60.14 -56.14 25.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.573 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 122' ' ' GLN . . . . . 0.559 ' NE2' HG21 ' D' ' 86' ' ' ILE . 0.2 OUTLIER -52.67 -31.88 39.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.435 179.54 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.451 ' HB3' HD13 ' B' ' 127' ' ' ILE . 14.6 m-20 -66.42 -49.83 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.768 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.653 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.867 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.45 ' CD1' HD12 ' D' ' 86' ' ' ILE . 4.5 t80 -59.82 -34.6 73.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.063 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -41.62 87.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.857 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 0.63 HD11 ' CD1' ' B' ' 127' ' ' ILE . 55.6 mt -61.3 -49.74 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.984 0.421 . . . . 0.0 110.876 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.7 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.6 t-80 -66.28 -45.54 80.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.162 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.902 ' O ' HG23 ' D' ' 133' ' ' VAL . 1.3 t30 -54.91 -60.19 3.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 130' ' ' ALA . . . . . 0.567 ' HB1' ' HE3' ' B' ' 119' ' ' LYS . . . -60.74 -52.15 66.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.892 HG21 HG21 ' C' ' 57' ' ' ILE . 82.2 mt -57.29 -42.7 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.322 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.718 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -62.08 -46.39 89.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.184 0.516 . . . . 0.0 109.879 179.218 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.902 HG23 ' O ' ' D' ' 129' ' ' ASN . 88.5 t -52.78 -51.19 38.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.651 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -30.72 71.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.303 179.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 22.3 ttm -56.09 -61.89 2.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.987 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -64.94 -39.08 92.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.991 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -60.54 -65.0 0.76 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 61.12 46.16 8.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 CA--C 1.528 0.135 0 CA-C-O 120.694 0.283 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.28 -26.69 44.32 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.71 2.273 . . . . 0.0 112.339 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.05 -29.82 67.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.92 -45.29 90.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.04 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.587 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.4 mm-40 -60.45 -52.91 63.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -57.85 -43.53 85.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.572 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.3 mmt -61.46 -45.53 93.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.042 0.449 . . . . 0.0 109.878 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.658 ' O ' HG23 ' A' ' 15' ' ' VAL . 28.8 tp60 -66.19 -32.85 74.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.734 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 8' ' ' GLU . 12.7 t -59.94 -54.98 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.644 179.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.877 ' HA ' HD12 ' A' ' 16' ' ' LEU . 18.5 mt -56.73 -45.53 81.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -29.34 68.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.854 HG11 HD21 ' D' ' 112' ' ' LEU . 3.3 t -72.46 -36.11 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.622 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 13' ' ' LEU . 11.5 mt -64.16 -43.58 94.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.717 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.74 -48.27 79.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.855 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -54.91 41.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.432 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.715 HD22 HD12 ' D' ' 100' ' ' LEU . 91.6 mt -55.34 -54.64 41.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.52 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.624 ' N ' HD12 ' A' ' 35' ' ' LEU . 4.4 tmm_? -51.66 -37.24 49.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.929 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.64 -48.94 83.73 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.124 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.525 ' HB3' HD22 ' D' ' 100' ' ' LEU . 9.9 mttm -59.9 -41.12 90.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.57 0.224 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 31.6 mt -57.0 -50.38 72.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.162 0.505 . . . . 0.0 110.375 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -61.37 -26.5 67.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.129 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.75 -33.28 27.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.05 0.452 . . . . 0.0 110.548 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' D' ' 100' ' ' LEU . 0.0 OUTLIER -81.18 -33.26 33.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.436 -179.734 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.05 -12.35 9.21 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.521 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -76.43 79.17 3.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 109.934 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.568 HG22 HD21 ' A' ' 32' ' ' ASN . 0.3 OUTLIER -89.57 23.95 2.45 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.708 179.419 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.9 m -101.57 -48.44 4.33 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.435 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -75.08 -24.86 58.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.742 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.568 HD21 HG22 ' A' ' 29' ' ' THR . 33.8 p-10 -53.04 -43.98 67.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.683 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.11 -32.78 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.164 0.507 . . . . 0.0 110.056 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -66.7 -45.3 79.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.149 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 20' ' ' ARG . 2.0 mt -60.88 -31.03 70.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.447 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.0 m -77.19 -36.27 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.88 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.088 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -69.29 -42.42 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.279 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' HD2' HD21 ' A' ' 16' ' ' LEU . 46.0 t80 -71.41 -51.06 26.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.016 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.635 ' CA ' HD13 ' A' ' 16' ' ' LEU . 9.1 t80 -55.28 -54.24 46.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.471 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HA ' ' HG3' ' A' ' 43' ' ' LYS . 6.5 mm-40 -59.97 -52.6 64.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.099 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.3 m -54.75 -29.2 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.011 0.434 . . . . 0.0 110.255 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -69.78 -36.01 75.38 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.405 179.246 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.859 ' HE2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -68.57 -31.5 70.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.26 179.689 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -44.59 130.27 4.96 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.241 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.11 -39.55 7.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.524 2.15 . . . . 0.0 112.397 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.717 HD11 HD11 ' C' ' 57' ' ' ILE . 1.7 tp -62.13 -50.66 71.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.213 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CE1' HD21 ' A' ' 51' ' ' LEU . 10.7 t80 -57.7 -42.0 82.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -57.14 -40.59 77.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.319 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.517 ' NE2' HD12 ' C' ' 53' ' ' LEU . 0.0 OUTLIER -62.38 -40.21 95.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.229 179.476 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.795 HG12 HD21 ' C' ' 53' ' ' LEU . 3.9 mt -58.1 -46.58 88.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.732 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.607 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -63.98 -38.0 89.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.268 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.8 m -53.77 -51.54 63.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.458 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.03 -48.77 79.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.18 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.567 ' OE1' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -58.88 -34.59 71.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.563 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -40.29 96.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.288 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -41.78 99.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.858 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.782 HG21 HG21 ' B' ' 131' ' ' ILE . 1.7 mt -60.25 -41.24 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.151 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -59.16 -41.45 88.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.843 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.39 89.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.165 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.687 ' CD1' HD21 ' C' ' 46' ' ' LEU . 1.2 mt -57.47 -43.74 84.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.551 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -65.63 -29.91 70.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.33 7.91 43.95 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.183 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -159.24 29.11 0.2 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.857 0.329 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -55.34 126.93 27.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.02 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.026 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.758 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.648 0.261 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.758 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -173.55 -71.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.438 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.486 ' H ' HG23 ' B' ' 81' ' ' VAL . 1.5 mmtp 62.52 145.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.686 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.694 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.0 OUTLIER -99.64 -160.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 0.0 111.088 -179.684 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 1.022 HD13 ' HB3' ' C' ' 37' ' ' ALA . 27.5 tp -159.83 -33.95 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.284 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' B' ' 84' ' ' LEU . 0.3 OUTLIER 53.55 109.27 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.843 0.354 . . . . 0.0 111.014 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.976 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -52.03 -25.57 6.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.928 -179.365 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.68 -45.5 89.78 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.297 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -34.41 49.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.786 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.13 -30.45 65.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.37 179.317 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.564 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 15.4 t80 -72.19 -48.85 40.06 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.852 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -31.27 71.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.54 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' SER . . . . . 0.84 ' O ' HD12 ' B' ' 96' ' ' ILE . 4.6 t -62.4 -53.43 54.99 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.389 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.6 OUTLIER -56.14 -36.23 68.02 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.315 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.447 ' HA ' ' HG2' ' B' ' 97' ' ' GLN . 22.4 mmtt -59.89 -38.95 83.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.834 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.415 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 2.2 t60 -72.25 -53.15 13.38 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.84 HD12 ' O ' ' B' ' 92' ' ' SER . 3.6 mt -54.48 -34.97 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.947 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.905 ' HA ' HD13 ' B' ' 109' ' ' ILE . 5.3 pt20 -70.11 -40.18 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.435 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.468 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -80.8 -21.02 41.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.302 179.039 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -85.06 -40.15 17.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.025 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.789 HD12 HD11 ' B' ' 109' ' ' ILE . 68.8 mt -95.07 88.22 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.97 35.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.5 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.19 13.69 18.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.858 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 69.42 -67.56 0.22 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.838 0.351 . . . . 0.0 111.327 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -56.07 -33.13 64.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.698 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.752 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.3 OUTLIER -68.54 -39.01 81.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.695 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.54 -34.12 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.269 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' B' ' 108' ' ' ASP . 0.0 OUTLIER -70.3 -39.79 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.51 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.781 ' HB3' HG13 ' C' ' 15' ' ' VAL . 18.7 m-20 -70.94 -44.29 66.44 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.905 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.9 mt -58.97 -49.14 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.662 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.606 ' HA ' HD12 ' B' ' 113' ' ' LEU . 26.7 t -55.27 -37.57 67.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.237 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.408 ' CD2' HG22 ' C' ' 12' ' ' VAL . 2.4 tt -57.02 -51.12 70.53 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.02 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.857 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.9 mt -61.37 -42.11 98.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.633 ' CD1' HG22 ' B' ' 109' ' ' ILE . 4.8 mt -57.05 -46.98 82.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.718 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' GLN . . . . . 0.404 ' HA ' ' CG ' ' B' ' 117' ' ' GLN . 4.5 mt-30 -60.82 -43.66 97.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.593 ' CD2' HG21 ' C' ' 12' ' ' VAL . 6.4 mp -61.13 -42.24 98.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.326 0.584 . . . . 0.0 109.485 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.976 HG13 HG12 ' B' ' 86' ' ' ILE . 72.0 t -63.28 -53.66 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.592 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' B' ' 113' ' ' LEU . 0.2 OUTLIER -64.64 -19.74 65.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.727 -179.238 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.471 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 36.2 t30 -56.31 146.04 25.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.776 0.322 . . . . 0.0 110.564 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -58.61 3.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.865 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.36 -50.39 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.959 0.409 . . . . 0.0 111.137 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 10.0 t80 -58.53 -43.95 89.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.517 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.9 -35.48 66.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.692 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.47 ' O ' HG13 ' B' ' 127' ' ' ILE . 1.4 m-80 -68.04 -51.75 43.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.603 ' HA ' HG21 ' C' ' 50' ' ' ILE . . . -56.87 -39.66 74.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.07 0.462 . . . . 0.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.573 ' CG ' HD12 ' B' ' 86' ' ' ILE . 10.4 t80 -68.76 -39.42 80.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.428 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -43.73 74.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.223 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 1.03 ' CD1' HD11 ' D' ' 127' ' ' ILE . 60.4 mt -60.05 -50.01 81.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.693 ' O ' ' HB ' ' B' ' 132' ' ' THR . 26.8 t-80 -62.08 -46.73 87.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.003 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.93 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.9 m-80 -55.2 -60.71 3.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.976 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 130' ' ' ALA . . . . . 0.655 ' HB1' ' HE2' ' D' ' 119' ' ' LYS . . . -61.47 -52.16 65.67 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.782 HG21 HG21 ' A' ' 57' ' ' ILE . 42.8 mt -56.65 -42.04 75.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.179 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.694 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.5 OUTLIER -59.64 -42.83 93.64 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.93 HG23 ' O ' ' B' ' 129' ' ' ASN . 45.3 t -52.72 -50.0 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.393 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -63.5 -31.7 72.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.107 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.22 -42.19 85.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.599 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 136' ' ' ASN . . . . . 0.464 HD21 HG23 ' B' ' 81' ' ' VAL . 56.8 m-20 -73.7 -37.25 65.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.89 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -56.36 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.002 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.62 121.3 10.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.885 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.563 0.221 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.88 -29.53 23.13 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.485 2.123 . . . . 0.0 112.372 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.92 -33.11 63.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.47 93.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.802 ' O ' HG23 ' C' ' 12' ' ' VAL . 3.9 mt-10 -66.47 -45.0 81.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.413 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -59.16 -44.17 92.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.6 tpt -61.57 -49.27 77.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.017 0.437 . . . . 0.0 110.023 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.773 ' O ' HG23 ' C' ' 15' ' ' VAL . 27.1 tp60 -63.05 -33.62 75.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.698 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.802 HG23 ' O ' ' C' ' 8' ' ' GLU . 23.7 t -60.18 -55.51 23.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.586 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.784 ' HA ' HD12 ' C' ' 16' ' ' LEU . 14.2 mt -53.88 -43.88 69.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 110.361 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.7 -28.23 66.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.92 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.781 HG13 ' HB3' ' B' ' 108' ' ' ASP . 16.1 t -74.07 -39.1 50.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.091 179.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' C' ' 13' ' ' LEU . 7.9 mt -64.5 -41.44 96.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.925 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -69.33 -44.11 72.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.695 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -54.14 39.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.06 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.677 HD12 HD11 ' B' ' 112' ' ' LEU . 70.9 mt -53.86 -57.4 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 0.0 110.787 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.747 ' N ' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -55.57 -29.84 59.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.799 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.3 -45.95 88.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.816 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.441 ' HB3' HD22 ' B' ' 100' ' ' LEU . 2.5 mtpp -62.28 -38.34 88.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.731 0.301 . . . . 0.0 110.711 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.657 HD21 HG23 ' B' ' 96' ' ' ILE . 26.9 mt -60.8 -50.14 74.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.962 0.411 . . . . 0.0 110.357 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.419 ' HG3' ' ND2' ' C' ' 32' ' ' ASN . 0.0 OUTLIER -58.94 -29.31 67.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.894 179.091 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -82.45 -31.78 29.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.544 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.462 ' CE ' HD23 ' B' ' 100' ' ' LEU . 0.6 OUTLIER -81.38 -29.77 33.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.078 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.26 21.19 4.15 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.659 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -116.74 83.59 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.151 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.18 17.51 10.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.391 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 2.8 m -93.89 -46.73 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.416 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.583 ' HB3' HD11 ' B' ' 96' ' ' ILE . 19.2 mp0 -73.02 -22.3 60.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.774 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 32' ' ' ASN . . . . . 0.419 ' ND2' ' HG3' ' C' ' 24' ' ' GLN . 2.5 m-20 -56.71 -40.03 74.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -56.89 -32.8 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.114 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -73.35 -41.87 62.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.249 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.747 HD12 ' N ' ' C' ' 20' ' ' ARG . 1.3 mt -67.47 -33.26 74.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.415 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 17.7 m -75.5 -31.2 60.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.819 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 1.022 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -74.63 -49.33 21.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.357 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.711 ' CE1' HD11 ' C' ' 42' ' ' LEU . 2.1 t80 -63.37 -47.3 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.277 0.561 . . . . 0.0 110.035 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.668 ' HA ' HD13 ' C' ' 16' ' ' LEU . 47.9 t80 -56.63 -53.89 52.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.2 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.434 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 0.8 OUTLIER -62.71 -44.3 96.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.65 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.691 HG22 ' CD2' ' C' ' 47' ' ' PHE . 87.9 m -59.8 -34.39 72.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.527 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.711 HD11 ' CE1' ' C' ' 38' ' ' PHE . 3.6 mt -68.99 -34.36 75.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.059 0.457 . . . . 0.0 110.228 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.455 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 0.5 OUTLIER -74.89 -31.01 61.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.0 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -46.61 146.38 2.53 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.356 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.89 -45.65 2.01 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.578 2.185 . . . . 0.0 112.365 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.687 HD21 ' CD1' ' A' ' 60' ' ' LEU . 3.7 mm? -57.93 -55.34 36.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.819 ' CD1' HD21 ' C' ' 51' ' ' LEU . 8.5 t80 -52.66 -50.6 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -55.4 -34.1 64.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.294 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -67.89 -41.92 82.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.949 0.404 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.603 HG21 ' HA ' ' B' ' 124' ' ' ALA . 3.0 mt -63.0 -36.83 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.819 HD21 ' CD1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -69.67 -36.61 76.17 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.497 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -56.22 -47.74 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.795 HD21 HG12 ' A' ' 50' ' ' ILE . 1.2 tp -61.41 -44.24 97.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.69 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -35.33 76.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.88 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.77 -36.42 83.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.607 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 35.3 m -60.77 -52.18 66.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.701 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 1.04 HG21 HG21 ' D' ' 131' ' ' ILE . 52.6 mt -60.26 -35.77 64.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.796 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -35.26 74.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.613 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -39.98 82.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.839 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.6 mt -53.21 -52.33 59.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.559 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.757 ' HA ' HD12 ' C' ' 64' ' ' LEU . 0.0 OUTLIER -64.68 -35.21 80.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.066 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.66 -22.04 65.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.921 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.94 -39.98 33.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 110.984 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 64' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' C' ' 61' ' ' LYS . 2.2 mt -56.32 -61.28 2.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 80' ' ' ALA . . . . . 0.825 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.522 -0.115 0 CA-C-O 120.608 0.242 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 81' ' ' VAL . . . . . 0.825 HG13 ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER -177.61 77.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.111 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.11 149.17 24.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.753 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.564 ' N ' HD13 ' D' ' 83' ' ' ILE . 1.1 mm -88.43 169.18 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.322 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 1.088 HD13 ' HB3' ' A' ' 37' ' ' ALA . 54.8 tp -120.36 -40.29 2.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.997 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.51 104.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.839 HG12 HG13 ' D' ' 116' ' ' VAL . 0.7 OUTLIER -49.86 -27.01 3.16 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.375 -179.628 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -48.89 79.03 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.221 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -35.5 60.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.78 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.705 ' O ' HD12 ' D' ' 89' ' ' LEU . 0.1 OUTLIER -71.34 -28.37 64.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.45 179.455 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.532 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.9 t80 -72.51 -50.28 27.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.858 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 8.5 t -63.36 -27.99 69.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.43 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 92' ' ' SER . . . . . 0.433 ' C ' HD12 ' D' ' 96' ' ' ILE . 63.9 m -64.73 -52.48 56.85 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.731 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.694 HD21 HD12 ' D' ' 89' ' ' LEU . 0.8 OUTLIER -57.22 -37.92 72.98 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -59.44 -38.08 79.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.378 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 95' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.8 t60 -69.79 -54.42 13.72 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' D' ' 93' ' ' LEU . 7.0 mt -51.02 -39.8 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.923 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.815 ' HA ' HD13 ' D' ' 109' ' ' ILE . 2.3 tt0 -62.81 -47.7 82.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.11 -16.03 57.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.579 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 99' ' ' THR . . . . . 0.449 HG22 HD23 ' D' ' 100' ' ' LEU . 1.2 m -87.26 -34.85 18.79 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.506 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.715 HD12 HD22 ' A' ' 19' ' ' LEU . 13.7 mt -90.11 -57.16 2.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.167 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.0 33.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.556 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.15 25.2 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.61 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t 66.74 -71.8 0.09 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.597 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -27.92 68.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.758 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.8 OUTLIER -72.55 -47.28 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.859 179.411 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -64.46 -30.42 71.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.754 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -39.62 63.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.076 0.465 . . . . 0.0 110.048 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.748 ' HB3' HG13 ' A' ' 15' ' ' VAL . 43.8 m-20 -70.85 -42.88 69.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.815 HD13 ' HA ' ' D' ' 97' ' ' GLN . 6.4 mt -62.31 -49.09 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.587 178.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.631 ' HA ' HD12 ' D' ' 113' ' ' LEU . 33.3 m -54.81 -37.23 65.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.208 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.49 HD23 HD23 ' D' ' 112' ' ' LEU . 6.2 tt -61.0 -45.22 95.71 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.854 HD21 HG11 ' A' ' 15' ' ' VAL . 4.2 mt -63.57 -41.19 98.4 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' D' ' 110' ' ' SER . 3.0 mt -60.43 -43.24 96.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.448 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 114' ' ' GLN . . . . . 0.571 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -61.95 -37.24 83.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.38 179.722 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.571 ' N ' ' HG3' ' D' ' 114' ' ' GLN . 4.0 mp -70.53 -50.17 40.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.74 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.839 HG13 HG12 ' D' ' 86' ' ' ILE . 47.3 t -61.08 -37.34 77.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.588 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 15.5 mt-30 -81.93 -20.35 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.645 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -51.59 146.53 7.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.642 0.258 . . . . 0.0 110.652 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 119' ' ' LYS . . . . . 0.655 ' HE2' ' HB1' ' B' ' 130' ' ' ALA . 0.0 OUTLIER -71.25 -58.76 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.395 -179.436 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 120' ' ' ASP . . . . . 0.404 ' HB3' ' CG ' ' A' ' 54' ' ' GLN . 2.1 m-20 -59.93 -46.07 90.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 111.122 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.5 t80 -56.07 -56.31 22.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 122' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 3.1 tt0 -52.98 -35.05 58.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.716 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.459 ' HB3' HG12 ' B' ' 127' ' ' ILE . 4.4 m-20 -59.7 -51.34 70.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.567 ' HB2' ' OE1' ' A' ' 54' ' ' GLN . . . -59.61 -49.17 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.695 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.592 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 2.8 t80 -56.86 -36.68 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.703 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 126' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 22.6 mmtt -62.76 -40.81 98.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.221 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 1.03 HD11 ' CD1' ' B' ' 127' ' ' ILE . 53.3 mt -58.92 -50.05 80.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.436 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.573 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.2 t-80 -69.54 -32.0 70.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.793 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.929 ' O ' HG23 ' D' ' 133' ' ' VAL . 1.8 m-20 -64.61 -60.88 2.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.681 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.09 -49.94 58.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.907 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 1.04 HG21 HG21 ' C' ' 57' ' ' ILE . 39.0 mt -53.49 -39.26 36.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.634 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.573 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.15 -52.53 63.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.231 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.929 HG23 ' O ' ' D' ' 129' ' ' ASN . 16.4 t -54.03 -44.75 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.774 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -63.22 -32.46 73.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.125 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 19.9 ttm -62.93 -40.5 97.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.442 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -79.9 -36.78 35.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -59.46 5.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.05 83.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 72.1 p . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.916 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.626 0.25 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.8 -51.91 4.31 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.566 2.177 . . . . 0.0 112.194 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.16 -38.6 53.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.426 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.59 -50.67 72.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.964 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.6 mm-40 -64.01 -30.73 71.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -61.66 -48.45 80.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.905 0.383 . . . . 0.0 110.244 179.598 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -38.35 87.99 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.596 ' NE2' HD13 ' D' ' 111' ' ' LEU . 7.7 tm0? -68.56 -32.49 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.644 178.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.619 HG21 HD22 ' D' ' 115' ' ' LEU . 2.7 t -61.76 -51.58 71.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.221 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.837 ' HA ' HD12 ' A' ' 16' ' ' LEU . 15.0 mt -59.29 -40.05 84.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.836 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -28.14 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.615 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.795 HG11 HD21 ' D' ' 112' ' ' LEU . 3.5 t -74.42 -38.44 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.012 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 13' ' ' LEU . 11.6 mt -64.24 -38.88 92.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -72.33 -38.66 68.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.742 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -70.16 -54.2 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.591 HD12 HD11 ' D' ' 112' ' ' LEU . 84.7 mt -53.61 -53.49 51.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.997 0.427 . . . . 0.0 110.408 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.703 ' N ' HD12 ' A' ' 35' ' ' LEU . 4.7 tmm_? -53.11 -43.85 67.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.068 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.24 -42.85 93.63 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.345 -0.931 . . . . 0.0 111.864 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' LYS . 3.5 mttm -61.79 -42.15 98.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.595 0.236 . . . . 0.0 110.738 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.564 HD11 HG12 ' D' ' 96' ' ' ILE . 35.1 mt -58.6 -50.57 73.34 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 110.737 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -32.76 64.21 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -83.14 -26.13 31.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.626 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LYS . 7.9 mttt -82.31 -31.06 30.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.203 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.26 12.45 10.87 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.253 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -107.56 83.94 1.89 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.84 29.82 2.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.0 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -105.46 -51.94 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.509 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -73.71 -23.2 59.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.457 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 4.0 p-10 -49.8 -38.77 35.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.945 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.32 -32.59 72.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.095 0.474 . . . . 0.0 110.027 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -42.89 74.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.347 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.703 HD12 ' N ' ' A' ' 20' ' ' ARG . 1.3 mt -63.58 -30.73 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.494 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.7 p -77.4 -38.69 49.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.01 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.797 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.52 -39.95 73.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.456 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.45 ' CA ' HD22 ' D' ' 84' ' ' LEU . 2.3 t80 -73.84 -34.04 64.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.34 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.636 ' HA ' HD13 ' A' ' 16' ' ' LEU . 55.8 t80 -69.71 -53.07 20.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.6 -50.13 75.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.044 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.516 HG22 ' CD2' ' A' ' 47' ' ' PHE . 74.3 m -55.4 -45.49 76.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.705 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -58.93 -35.7 73.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.08 0.467 . . . . 0.0 110.391 179.413 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG3' HD13 ' A' ' 13' ' ' LEU . 15.7 mtpt -76.32 -32.86 58.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.461 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 t -44.51 135.84 4.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.331 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.64 -41.34 15.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.47 2.113 . . . . 0.0 112.22 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.697 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.3 OUTLIER -62.13 -52.67 62.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.233 179.639 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.896 ' CE1' HD21 ' A' ' 51' ' ' LEU . 19.3 t80 -57.53 -44.95 85.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.514 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -39.13 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.743 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -62.7 -42.24 99.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.444 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.834 HG12 HD21 ' C' ' 53' ' ' LEU . 34.8 mt -58.54 -45.08 90.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.896 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -69.59 -34.86 74.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.514 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.2 m -53.91 -50.91 65.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.972 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.869 HD21 HG12 ' C' ' 50' ' ' ILE . 0.5 OUTLIER -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.809 178.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -31.44 70.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.324 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -39.96 86.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.212 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -60.81 -45.46 94.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.931 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.79 HG21 HG21 ' B' ' 131' ' ' ILE . 7.0 mt -60.79 -37.18 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.277 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -39.56 86.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.904 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -40.25 96.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.115 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -55.58 -47.54 76.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.523 179.361 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.432 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 9.6 mtmt -59.07 -52.86 63.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.13 -55.79 28.71 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -59.3 -30.26 68.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.679 0.276 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 60' ' ' LEU . 20.5 mt -89.91 72.34 7.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.886 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.708 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.861 0.362 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.708 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER 177.61 71.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.993 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -139.21 143.48 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.652 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.58 ' N ' HD13 ' B' ' 83' ' ' ILE . 0.1 OUTLIER -99.42 -159.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 111.101 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.86 HD13 ' HB3' ' C' ' 37' ' ' ALA . 7.8 tp -173.62 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.495 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.81 115.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.904 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -56.98 -26.59 24.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.451 -179.856 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.26 -48.01 79.97 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.477 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -34.61 55.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 109.809 178.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.791 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.34 -29.91 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.553 179.549 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.55 -48.03 43.44 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 22.5 p -62.57 -30.1 71.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.567 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' SER . . . . . 0.828 ' O ' HD12 ' B' ' 96' ' ' ILE . 1.3 m -63.97 -53.26 52.93 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.417 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.735 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.6 OUTLIER -56.35 -36.3 68.62 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.325 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -58.97 -43.55 91.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.671 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -67.36 -55.98 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.828 HD12 ' O ' ' B' ' 92' ' ' SER . 4.1 mt -50.93 -33.75 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.19 -0.913 . . . . 0.0 111.072 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.638 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -65.38 -48.92 71.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.973 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -77.28 -22.15 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.382 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.06 -33.86 26.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.976 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.661 HD12 HD11 ' B' ' 109' ' ' ILE . 95.4 mt -102.71 85.27 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.94 36.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.286 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -92.79 15.82 13.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.946 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.408 ' HA ' ' HG3' ' B' ' 106' ' ' GLN . 0.5 OUTLIER 68.35 -68.12 0.18 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.779 0.323 . . . . 0.0 111.269 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -36.56 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.048 0.452 . . . . 0.0 110.686 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.796 ' O ' HD12 ' B' ' 109' ' ' ILE . 50.4 m -67.59 -37.56 82.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.408 ' HG3' ' HA ' ' B' ' 103' ' ' SER . 1.6 mt-30 -63.32 -36.08 82.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.093 0.473 . . . . 0.0 110.195 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.52 -40.46 80.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.516 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.785 ' CG ' HG22 ' C' ' 15' ' ' VAL . 37.4 m-20 -70.28 -43.39 70.55 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.796 HD12 ' O ' ' B' ' 105' ' ' SER . 4.5 mt -59.28 -49.58 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.623 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.584 ' HA ' HD12 ' B' ' 113' ' ' LEU . 2.9 m -56.94 -34.12 67.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.865 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.652 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.91 -51.5 68.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.937 178.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.837 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.6 mt -63.53 -41.61 98.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.474 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.623 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.4 mt -57.77 -42.13 83.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.87 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.79 -49.5 76.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.936 0.398 . . . . 0.0 110.567 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.507 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.6 mp -61.79 -48.69 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.128 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.904 HG13 HG12 ' B' ' 86' ' ' ILE . 61.5 t -60.56 -37.27 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.587 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 30.8 mt-30 -85.79 -11.14 54.24 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.43 146.62 43.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.68 0.276 . . . . 0.0 110.508 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' LYS . . . . . 0.738 ' HD2' ' HB1' ' D' ' 130' ' ' ALA . 0.0 OUTLIER -70.36 -58.69 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.176 -179.569 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.06 -47.48 85.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.72 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.1 t80 -55.87 -54.16 48.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.4 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -50.29 -38.24 40.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.751 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.01 -47.62 85.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.654 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.826 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.36 -49.19 78.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.265 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.593 ' CD1' HD12 ' B' ' 86' ' ' ILE . 11.5 t80 -62.33 -37.45 85.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.255 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -63.94 -38.72 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.764 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 1.064 HD11 HD11 ' D' ' 127' ' ' ILE . 9.3 mt -63.72 -49.63 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.696 ' O ' ' HB ' ' B' ' 132' ' ' THR . 26.0 t-80 -67.92 -39.28 83.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.822 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.845 ' O ' HG23 ' B' ' 133' ' ' VAL . 2.0 t30 -55.32 -60.35 3.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.806 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.72 -51.52 48.31 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.79 HG21 HG21 ' A' ' 57' ' ' ILE . 70.5 mt -53.8 -43.73 57.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.528 0.204 . . . . 0.0 111.282 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.696 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.7 OUTLIER -60.14 -53.67 54.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.452 0.644 . . . . 0.0 109.536 178.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.845 HG23 ' O ' ' B' ' 129' ' ' ASN . 57.5 t -53.59 -48.09 59.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -31.59 72.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.362 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 11.3 ttm -59.11 -49.93 76.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.694 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -76.12 -27.11 56.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.977 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -80.68 -71.91 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 60.92 84.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.055 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 84.7 p . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.946 179.923 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 4' ' ' ASN . . . . . 0.506 ' OD1' ' HB3' ' C' ' 6' ' ' ALA . 15.5 t-20 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.573 0.225 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.87 -28.76 75.78 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.48 2.12 . . . . 0.0 112.371 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ALA . . . . . 0.506 ' HB3' ' OD1' ' C' ' 4' ' ' ASN . . . -75.81 -29.23 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.06 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.01 -39.22 81.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.133 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.728 ' O ' HG23 ' C' ' 12' ' ' VAL . 13.0 mt-10 -64.57 -56.47 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.647 ' HE2' HD11 ' C' ' 13' ' ' LEU . 3.0 tmtt? -60.05 -43.41 95.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.601 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 5.1 mmt -61.41 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.852 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.496 ' NE2' HG23 ' C' ' 15' ' ' VAL . 32.2 tp60 -68.72 -34.09 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.627 178.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.728 HG23 ' O ' ' C' ' 8' ' ' GLU . 25.8 t -60.12 -56.35 18.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.718 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.679 ' HA ' HD12 ' C' ' 16' ' ' LEU . 17.2 mt -57.46 -41.7 81.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.099 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -28.5 67.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.444 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.785 HG22 ' CG ' ' B' ' 108' ' ' ASP . 2.2 t -73.69 -37.92 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.83 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' C' ' 13' ' ' LEU . 23.8 mt -64.17 -42.75 96.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.077 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -39.17 78.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mtp-105 -68.08 -48.0 66.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.767 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.717 HD12 HD11 ' B' ' 112' ' ' LEU . 33.9 mt -58.96 -57.53 12.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.649 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.755 ' HB3' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -56.74 -30.04 63.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.595 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.93 -47.15 86.0 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.6 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.411 ' HB3' ' CD2' ' B' ' 100' ' ' LEU . 0.5 OUTLIER -60.55 -38.51 84.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 110.265 179.467 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' C' ' 20' ' ' ARG . 33.2 mt -61.07 -50.11 74.6 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.505 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.453 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.1 OUTLIER -54.99 -32.13 61.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.798 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.6 -28.51 30.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.296 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.425 ' HE3' HD23 ' B' ' 100' ' ' LEU . 9.8 mttt -78.48 -33.05 48.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.055 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.41 13.5 8.87 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.326 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -112.57 85.43 2.16 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.027 0.441 . . . . 0.0 110.185 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.453 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -92.44 16.88 10.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.06 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m -88.1 -49.88 6.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.49 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.608 ' HB3' HD11 ' B' ' 96' ' ' ILE . 21.6 mp0 -74.51 -22.29 59.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -54.21 -44.9 72.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -56.94 -32.75 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.336 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -70.74 -44.65 66.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.35 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.755 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.6 mt -60.23 -30.84 69.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.426 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 4.3 t -77.17 -34.44 56.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.993 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.86 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -70.28 -44.28 68.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.429 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.546 ' CE2' HD11 ' C' ' 42' ' ' LEU . 61.6 t80 -70.64 -43.68 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.265 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.611 ' CA ' HD13 ' C' ' 16' ' ' LEU . 10.6 t80 -62.31 -53.57 53.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.093 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.4 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 23.2 mm-40 -58.5 -50.62 73.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.884 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.447 HG22 ' CD2' ' C' ' 47' ' ' PHE . 63.7 m -57.09 -38.2 73.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.855 0.36 . . . . 0.0 110.413 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.628 ' HB3' HD21 ' C' ' 13' ' ' LEU . 0.2 OUTLIER -60.55 -35.57 76.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.149 0.5 . . . . 0.0 110.076 179.263 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.484 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -73.4 -30.49 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.089 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 15.1 m -46.37 135.98 7.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.37 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.04 -38.92 8.63 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.54 2.16 . . . . 0.0 111.984 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.691 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -63.84 -54.16 39.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.148 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.906 ' CE1' HD21 ' C' ' 51' ' ' LEU . 13.6 t80 -57.61 -45.71 85.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.319 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -57.22 -39.14 74.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.614 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -60.13 -43.45 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.317 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.869 HG12 HD21 ' A' ' 53' ' ' LEU . 11.3 mt -58.35 -45.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.638 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.906 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.56 -34.95 79.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.366 179.606 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -53.8 -52.64 59.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.064 0.459 . . . . 0.0 109.85 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.834 HD21 HG12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -59.73 -40.79 89.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.509 178.655 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.507 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 5.2 mm-40 -62.07 -36.29 81.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.247 179.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -62.45 -38.43 89.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.786 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.87 -47.64 85.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.707 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.834 HG21 HG21 ' D' ' 131' ' ' ILE . 6.2 mt -62.1 -36.38 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.225 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -59.28 -37.22 77.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.821 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -39.88 85.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.949 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.1 mt -53.21 -49.21 67.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.528 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -65.53 -37.66 87.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.29 -24.22 69.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.783 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.33 -53.18 5.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.314 . . . . 0.0 110.974 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 mp -55.44 106.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 -179.874 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 80' ' ' ALA . . . . . 0.431 ' O ' HG22 ' D' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.862 0.363 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 81' ' ' VAL . . . . . 0.78 HG11 ' HB3' ' D' ' 136' ' ' ASN . 30.0 m 43.44 49.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.086 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 82' ' ' LYS . . . . . 0.426 ' C ' HD13 ' D' ' 83' ' ' ILE . 0.1 OUTLIER -90.24 129.8 36.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.38 179.522 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.686 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.0 OUTLIER -108.7 -166.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.444 0.64 . . . . 0.0 111.783 -179.544 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 0.797 HD13 ' HB3' ' A' ' 37' ' ' ALA . 8.7 tp -156.73 -34.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.793 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.76 111.77 0.01 OUTLIER 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.765 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.803 HG12 HG13 ' D' ' 116' ' ' VAL . 1.0 OUTLIER -53.82 -24.96 11.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.503 -179.59 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.38 -50.11 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.192 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -33.73 60.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.147 0.499 . . . . 0.0 109.739 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.751 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -72.13 -29.03 63.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.375 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.6 t80 -71.76 -49.57 37.85 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 5.6 m -61.64 -30.2 70.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.471 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -61.77 -53.1 60.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.273 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.8 OUTLIER -56.8 -37.88 71.78 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.482 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -37.18 78.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.475 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 95' ' ' HIS . . . . . 0.4 ' O ' ' HB ' ' D' ' 99' ' ' THR . 0.4 OUTLIER -71.26 -52.77 17.11 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.286 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' D' ' 93' ' ' LEU . 10.6 mt -53.05 -40.44 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.196 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.692 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -61.5 -53.55 54.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.223 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.44 -2.61 42.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.027 0.442 . . . . 0.0 110.477 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 99' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' D' ' 95' ' ' HIS . 1.5 m -98.5 -33.46 11.0 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.566 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.938 HD12 HD11 ' D' ' 109' ' ' ILE . 48.5 mt -91.13 -53.48 4.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.209 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.75 36.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.68 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -97.13 21.57 9.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.831 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 28.6 t 66.1 -71.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.924 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -34.06 72.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.177 0.513 . . . . 0.0 109.864 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.821 ' O ' HD12 ' D' ' 109' ' ' ILE . 87.9 p -67.98 -41.6 82.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.28 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.49 -32.41 72.43 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.002 0.43 . . . . 0.0 110.16 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -42.41 71.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.649 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.746 ' CG ' HG22 ' A' ' 15' ' ' VAL . 17.1 m-20 -70.64 -42.4 70.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.718 0.77 . . . . 0.0 108.977 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.938 HD11 HD12 ' D' ' 100' ' ' LEU . 5.1 mt -61.1 -49.24 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.589 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.658 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.2 m -57.67 -33.9 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.903 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.596 HD13 ' NE2' ' A' ' 11' ' ' GLN . 0.5 OUTLIER -58.13 -51.24 70.56 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.101 179.014 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.795 HD21 HG11 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -63.92 -38.27 90.45 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.799 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' D' ' 110' ' ' SER . 5.8 mt -60.88 -43.53 98.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.372 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.94 -52.67 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.619 HD22 HG21 ' A' ' 12' ' ' VAL . 1.8 pp -65.41 -35.66 81.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.35 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.803 HG13 HG12 ' D' ' 86' ' ' ILE . 19.8 t -65.48 -36.52 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 38.7 mt-30 -88.09 -12.81 43.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.847 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -51.56 139.07 21.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.643 0.259 . . . . 0.0 110.568 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -59.09 5.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.75 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -48.74 80.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 111.21 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.9 t80 -55.67 -51.6 66.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -53.03 -41.47 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.8 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.578 ' O ' HG13 ' D' ' 127' ' ' ILE . 0.5 OUTLIER -59.89 -51.83 68.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -179.766 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 50' ' ' ILE . . . -56.47 -49.18 75.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.677 ' CG ' HD12 ' D' ' 86' ' ' ILE . 9.5 t80 -55.99 -35.54 66.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -29.48 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 1.064 HD11 HD11 ' B' ' 127' ' ' ILE . 13.0 mt -66.4 -50.02 70.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.093 0.473 . . . . 0.0 110.551 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.639 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.2 t-80 -65.07 -44.78 87.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.836 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.84 ' O ' HG23 ' D' ' 133' ' ' VAL . 24.7 t-20 -55.51 -60.53 3.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.726 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 130' ' ' ALA . . . . . 0.738 ' HB1' ' HD2' ' B' ' 119' ' ' LYS . . . -59.09 -51.33 70.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.502 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.834 HG21 HG21 ' C' ' 57' ' ' ILE . 72.1 mt -57.28 -45.32 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.179 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.686 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -61.59 -48.33 81.42 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.182 0.515 . . . . 0.0 109.857 179.249 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.84 HG23 ' O ' ' D' ' 129' ' ' ASN . 85.0 t -55.52 -51.49 57.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.141 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -63.81 -30.77 71.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.988 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.9 ttm -52.86 -54.44 34.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 136' ' ' ASN . . . . . 0.78 ' HB3' HG11 ' D' ' 81' ' ' VAL . 2.5 p-10 -70.44 -37.27 74.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -32.57 70.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -145.68 85.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.896 179.911 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 t30 . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.404 0.145 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.0 -52.28 5.35 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.353 2.036 . . . . 0.0 112.014 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.46 -32.05 25.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.241 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.5 86.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.045 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.768 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.3 mm-40 -64.79 -53.88 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 2.9 tmmm? -58.67 -41.81 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.596 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.8 tpt -61.3 -44.63 96.89 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.504 ' NE2' HG23 ' A' ' 15' ' ' VAL . 28.8 tp60 -66.53 -35.43 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.344 178.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 8' ' ' GLU . 55.1 t -59.97 -50.27 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.614 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.783 ' HA ' HD12 ' A' ' 16' ' ' LEU . 12.6 mt -57.64 -46.6 83.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.046 0.45 . . . . 0.0 109.932 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -28.34 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.76 178.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.813 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.3 t -73.13 -40.02 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.773 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 13' ' ' LEU . 10.8 mt -60.76 -42.09 96.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -41.31 71.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.657 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -63.57 -54.3 38.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.746 HD12 HD11 ' D' ' 112' ' ' LEU . 86.5 mt -52.98 -56.64 14.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.442 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.827 ' HA ' HD12 ' A' ' 23' ' ' LEU . 5.4 tmm_? -50.76 -36.47 36.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.885 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.12 -49.7 75.67 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.967 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.716 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.2 OUTLIER -61.36 -31.85 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 0.0 110.598 179.601 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.827 HD12 ' HA ' ' A' ' 20' ' ' ARG . 26.1 mt -68.4 -50.35 53.48 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.019 0.437 . . . . 0.0 110.42 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.475 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -58.45 -26.76 63.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.913 179.244 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.6 -31.66 28.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.464 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.759 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.5 OUTLIER -79.96 -33.15 39.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.257 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.64 19.16 5.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -116.06 81.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.145 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.475 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -91.55 13.15 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.186 179.659 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.4 m -78.64 -54.88 5.66 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.491 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.669 ' HB3' HD11 ' D' ' 96' ' ' ILE . 2.1 mp0 -67.17 -17.81 65.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.464 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.29 -52.85 15.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.75 -32.75 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.407 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -67.22 -40.08 86.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.161 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.706 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.2 mt -70.16 -32.12 69.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.602 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -34.46 55.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.956 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.846 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -73.08 -42.26 63.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.539 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.626 ' HD2' HD21 ' A' ' 16' ' ' LEU . 4.7 t80 -71.72 -37.43 70.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.233 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.672 ' HA ' HD13 ' A' ' 16' ' ' LEU . 17.8 t80 -65.95 -53.12 43.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.823 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -58.6 -47.89 82.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.964 HG22 ' CD2' ' A' ' 47' ' ' PHE . 48.9 m -56.83 -48.7 77.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.415 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.497 ' CD1' HD11 ' A' ' 16' ' ' LEU . 5.7 mt -52.47 -38.94 60.52 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.214 0.531 . . . . 0.0 110.247 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 26.5 mtpt -77.93 -29.24 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.345 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.405 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -42.29 135.79 2.42 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.466 -179.674 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 29.5 Cg_exo -61.21 -53.34 2.54 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.472 2.114 . . . . 0.0 112.567 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.53 HD11 HG12 ' C' ' 57' ' ' ILE . 1.4 mm? -57.52 -55.7 31.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.582 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.964 ' CD2' HG22 ' A' ' 41' ' ' THR . 5.2 t80 -54.96 -48.82 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -55.61 -32.67 63.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.439 ' HB3' HD11 ' C' ' 53' ' ' LEU . 0.0 OUTLIER -69.67 -40.36 76.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.6 179.723 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.846 HG12 HD21 ' C' ' 53' ' ' LEU . 17.7 mt -64.27 -42.6 95.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.118 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.736 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -68.83 -36.55 78.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.887 0.375 . . . . 0.0 110.103 179.525 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -53.94 -52.4 60.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.835 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' C' ' 49' ' ' GLN . 0.4 OUTLIER -58.29 -45.67 87.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.819 178.83 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.69 ' OE1' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -61.08 -33.03 72.69 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.266 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.31 -39.45 94.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.104 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.661 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.552 HG21 HG21 ' B' ' 131' ' ' ILE . 1.9 mt -60.3 -40.48 83.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.308 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -58.91 -44.34 91.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.229 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.25 -39.83 84.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.345 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.608 HD13 HD21 ' C' ' 46' ' ' LEU . 1.5 mt -59.93 -41.77 92.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.688 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -50.67 71.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.39 -36.3 83.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.646 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.12 -53.88 53.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.49 89.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.783 0.325 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 m 40.74 71.13 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.869 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.04 138.48 37.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.358 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.585 ' N ' HD13 ' B' ' 83' ' ' ILE . 0.8 OUTLIER -79.38 -160.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.559 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.906 HD13 ' HB3' ' C' ' 37' ' ' ALA . 26.7 tp -168.26 -36.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.313 . . . . 0.0 111.102 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 57.59 108.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.52 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.851 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -50.82 -25.05 2.97 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.854 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.86 -47.51 80.42 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.333 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -77.34 -34.32 55.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 0.0 109.832 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.22 -30.54 65.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.542 179.512 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.531 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.9 t80 -72.23 -48.51 42.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.751 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -28.91 70.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.516 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' SER . . . . . 0.794 ' C ' HD12 ' B' ' 96' ' ' ILE . 4.9 t -64.51 -53.54 46.42 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.533 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.734 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.4 OUTLIER -58.04 -33.9 69.5 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -59.3 -44.9 92.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.697 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.461 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.8 t60 -68.21 -54.13 19.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.794 HD12 ' C ' ' B' ' 92' ' ' SER . 4.9 mt -50.72 -34.33 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.937 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.658 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -64.0 -46.59 83.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.66 179.583 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -80.46 -20.07 44.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.366 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 2.0 m -84.26 -33.18 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.715 HD23 ' HE2' ' C' ' 26' ' ' LYS . 42.4 mt -112.09 76.01 0.95 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -94.46 36.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.161 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.85 16.28 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.999 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m 74.47 -68.47 0.21 Allowed 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -29.7 69.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.128 0.49 . . . . 0.0 109.942 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.756 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -72.2 -47.68 48.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.776 179.531 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -62.37 -30.09 70.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.761 0.315 . . . . 0.0 110.572 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.72 -41.02 65.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.459 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ASP . . . . . 0.739 ' CG ' HG22 ' C' ' 15' ' ' VAL . 35.9 m-20 -70.45 -42.68 71.16 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.756 HD12 ' O ' ' B' ' 105' ' ' SER . 5.3 mt -59.72 -49.29 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.491 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 110' ' ' SER . . . . . 0.55 ' HA ' HD12 ' B' ' 113' ' ' LEU . 2.3 m -55.57 -35.53 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.817 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.605 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.62 -51.34 69.07 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.84 178.779 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.867 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.4 mt -62.84 -42.52 99.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.3 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.646 ' CD1' HG22 ' B' ' 109' ' ' ILE . 4.7 mt -57.1 -41.13 78.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.815 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.75 -50.22 73.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.001 0.429 . . . . 0.0 110.428 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.537 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.3 mp -61.24 -49.75 75.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.137 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 112' ' ' LEU . 48.8 t -58.37 -27.55 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.429 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 35.8 mt-30 -98.43 -8.29 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.79 152.69 26.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.708 0.289 . . . . 0.0 110.523 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -59.33 2.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.078 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -43.05 99.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.799 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 121' ' ' PHE . . . . . 0.451 ' CE2' ' HB3' ' B' ' 115' ' ' LEU . 12.3 t80 -58.67 -56.01 27.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.58 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -52.26 -36.16 51.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.815 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.435 ' HB3' ' CD1' ' D' ' 127' ' ' ILE . 4.1 m120 -62.11 -51.24 68.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.684 ' HB2' HE21 ' C' ' 54' ' ' GLN . . . -58.22 -47.96 81.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 125' ' ' PHE . . . . . 0.471 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 2.1 t80 -57.57 -41.31 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.597 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 1.2 mptp? -64.06 -37.21 86.59 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.81 0.338 . . . . 0.0 110.712 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.847 HD11 HD11 ' D' ' 127' ' ' ILE . 44.4 mt -69.11 -49.74 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.633 ' O ' ' HB ' ' B' ' 132' ' ' THR . 11.6 t-80 -68.41 -32.1 71.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.901 ' O ' HG23 ' B' ' 133' ' ' VAL . 35.9 t-20 -64.29 -60.81 2.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.79 -52.3 38.73 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' ILE . . . . . 0.552 HG21 HG21 ' A' ' 57' ' ' ILE . 56.0 mt -53.79 -36.1 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.415 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 132' ' ' THR . . . . . 0.633 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.8 OUTLIER -61.33 -52.09 66.11 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 177.848 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 133' ' ' VAL . . . . . 0.901 HG23 ' O ' ' B' ' 129' ' ' ASN . 14.5 t -52.89 -51.39 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.718 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -64.08 -32.16 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.518 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 33.3 ttm -54.75 -61.91 2.0 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -66.91 -34.97 78.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -60.32 -66.52 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 57.68 72.9 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.83 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.555 0.216 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -61.96 -48.81 7.73 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.511 2.141 . . . . 0.0 112.025 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.18 -29.44 13.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.205 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.79 -33.34 73.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.965 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.844 ' O ' HG23 ' C' ' 12' ' ' VAL . 49.2 mt-10 -63.05 -53.37 54.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.636 ' HE2' HD11 ' C' ' 13' ' ' LEU . 5.3 tmtt? -56.71 -41.46 77.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.607 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 6.4 tpt -61.77 -48.21 81.68 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' GLN . . . . . 0.579 ' NE2' HG23 ' C' ' 15' ' ' VAL . 30.6 tp60 -64.78 -31.89 73.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.714 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.844 HG23 ' O ' ' C' ' 8' ' ' GLU . 54.3 t -60.71 -56.3 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.533 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.658 HD13 ' HE2' ' C' ' 43' ' ' LYS . 19.7 mt -54.37 -44.35 72.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.214 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -28.63 68.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.284 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 15' ' ' VAL . . . . . 0.803 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.1 t -74.0 -37.8 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.91 179.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.533 ' CD2' HD13 ' B' ' 112' ' ' LEU . 74.0 mt -64.44 -37.03 86.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.732 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.8 -41.16 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.83 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -66.03 -54.69 22.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' LEU . . . . . 0.567 HD12 HD11 ' B' ' 112' ' ' LEU . 90.4 mt -53.2 -52.54 58.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.141 0.496 . . . . 0.0 110.286 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ARG . . . . . 0.499 ' HD3' ' HB2' ' C' ' 35' ' ' LEU . 0.1 OUTLIER -51.5 -44.24 62.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.746 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.62 -44.91 86.14 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.111 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.63 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.6 mttm -64.22 -33.48 75.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.518 0.199 . . . . 0.0 111.198 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' C' ' 31' ' ' GLN . 47.5 mt -66.66 -50.49 62.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.944 0.402 . . . . 0.0 110.499 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -26.31 67.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.004 179.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.38 -31.97 29.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.494 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' LYS . . . . . 0.715 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.7 OUTLIER -83.51 -36.49 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.431 -179.789 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.65 -19.41 6.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.943 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 97.8 m-20 -73.58 80.67 1.49 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.01 0.433 . . . . 0.0 110.113 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.23 14.94 9.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.882 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 55.3 m -87.33 -44.39 11.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.666 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.748 ' HB3' HD11 ' B' ' 96' ' ' ILE . 3.7 mm-40 -72.84 -25.04 60.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.577 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 32' ' ' ASN . . . . . 0.416 ' CB ' ' HD2' ' C' ' 20' ' ' ARG . 4.1 m120 -49.89 -41.44 45.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.892 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -59.7 -33.59 71.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.345 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.534 ' NZ ' HD12 ' B' ' 84' ' ' LEU . 16.9 mmmt -73.49 -41.85 62.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.344 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.577 ' N ' HD23 ' C' ' 35' ' ' LEU . 2.3 mt -66.8 -32.36 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.646 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -33.03 60.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.237 0.541 . . . . 0.0 109.896 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.906 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -74.37 -47.08 36.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.217 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 38' ' ' PHE . . . . . 0.533 ' CE2' HD11 ' C' ' 42' ' ' LEU . 42.8 t80 -63.96 -49.73 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.176 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.466 ' CZ ' ' NZ ' ' C' ' 43' ' ' LYS . 85.2 t80 -54.13 -53.38 54.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.12 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.13 -48.31 79.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' THR . . . . . 0.5 HG23 ' CE1' ' B' ' 128' ' ' HIS . 84.8 m -56.03 -38.82 71.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.427 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' C' ' 38' ' ' PHE . 0.2 OUTLIER -60.94 -41.72 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.143 179.242 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 43' ' ' LYS . . . . . 0.658 ' HE2' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -69.39 -24.2 63.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.0 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 44' ' ' SER . . . . . 0.434 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 0.5 OUTLIER -45.59 133.99 6.19 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.478 -179.437 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 45' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 27.2 Cg_exo -61.12 -49.13 8.58 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.446 2.098 . . . . 0.0 111.887 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.608 HD21 HD13 ' A' ' 60' ' ' LEU . 3.4 mm? -57.71 -54.7 43.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.831 ' CE1' HD21 ' C' ' 51' ' ' LEU . 3.4 t80 -51.06 -51.14 56.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -55.9 -36.59 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.304 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 49' ' ' GLN . . . . . 0.55 ' HB3' HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -65.37 -40.41 93.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.968 -179.833 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 50' ' ' ILE . . . . . 0.443 HG12 HD21 ' A' ' 53' ' ' LEU . 1.3 mt -63.98 -41.07 91.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.831 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.4 OUTLIER -68.77 -37.92 79.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.379 . . . . 0.0 110.17 179.526 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 93.8 m -53.91 -50.7 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.801 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.846 HD21 HG12 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -57.9 -51.15 70.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.977 178.857 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 54' ' ' GLN . . . . . 0.684 HE21 ' HB2' ' B' ' 124' ' ' ALA . 3.4 mm-40 -59.68 -31.35 69.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.444 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -41.2 98.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.989 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 74.9 m -63.25 -41.76 99.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.622 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.689 HG21 HG21 ' D' ' 131' ' ' ILE . 3.3 mt -61.31 -43.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.239 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -40.75 74.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.184 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.88 -41.49 97.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.284 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 60' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -55.89 -45.99 78.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 179.563 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 61' ' ' LYS . . . . . 0.742 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 3.3 mttt -59.24 -56.52 21.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.66 -38.62 92.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.592 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.38 -45.73 90.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.341 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt -75.26 126.94 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 80' ' ' ALA . . . . . 0.814 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.579 0.228 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 81' ' ' VAL . . . . . 0.814 HG13 ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER -176.55 37.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.068 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.15 156.24 18.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.779 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 83' ' ' ILE . . . . . 0.572 HG21 ' CG ' ' D' ' 129' ' ' ASN . 0.3 OUTLIER -95.86 -156.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.79 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 84' ' ' LEU . . . . . 0.846 HD13 ' HB3' ' A' ' 37' ' ' ALA . 12.2 tp -168.13 -32.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.364 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 59.36 112.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.783 0.325 . . . . 0.0 110.683 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 86' ' ' ILE . . . . . 0.912 HG12 HG13 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -57.13 -25.42 22.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.527 -179.609 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.21 -46.82 82.22 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.187 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -35.95 55.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.152 0.501 . . . . 0.0 109.821 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 89' ' ' LEU . . . . . 0.747 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -71.99 -30.52 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.58 179.659 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 90' ' ' PHE . . . . . 0.508 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 13.6 t80 -72.48 -46.07 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -62.78 -31.61 72.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.572 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 92' ' ' SER . . . . . 0.798 ' C ' HD12 ' D' ' 96' ' ' ILE . 45.1 m -63.44 -53.02 58.81 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.578 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 93' ' ' LEU . . . . . 0.727 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -56.35 -35.83 68.1 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.446 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 94' ' ' LYS . . . . . 0.43 ' HE3' ' CZ ' ' D' ' 90' ' ' PHE . 26.9 mmtp -58.97 -45.19 91.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.715 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 95' ' ' HIS . . . . . 0.418 ' CD2' ' OE1' ' A' ' 31' ' ' GLN . 2.1 t60 -66.85 -55.5 14.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 96' ' ' ILE . . . . . 0.798 HD12 ' C ' ' D' ' 92' ' ' SER . 4.6 mt -50.9 -33.91 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.061 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 97' ' ' GLN . . . . . 0.567 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -64.41 -52.03 60.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.715 179.62 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -74.4 -21.51 59.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.392 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -82.22 -36.55 27.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.919 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 100' ' ' LEU . . . . . 0.759 HD23 ' HE2' ' A' ' 26' ' ' LYS . 25.2 mt -107.82 77.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.29 37.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.638 -1.165 . . . . 0.0 111.095 -178.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.4 21.14 3.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.866 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 103' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' D' ' 106' ' ' GLN . 0.5 OUTLIER 68.56 -68.61 0.17 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.066 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -59.59 -30.17 68.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.149 0.499 . . . . 0.0 110.02 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 105' ' ' SER . . . . . 0.822 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.4 OUTLIER -71.99 -48.56 43.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.611 179.578 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 106' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' D' ' 103' ' ' SER . 4.3 pt20 -61.49 -29.91 70.28 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 110.296 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.82 -42.14 70.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.596 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 108' ' ' ASP . . . . . 0.716 ' CG ' HG22 ' A' ' 15' ' ' VAL . 21.4 m-20 -70.38 -42.19 72.09 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 109' ' ' ILE . . . . . 0.822 HD12 ' O ' ' D' ' 105' ' ' SER . 3.8 mt -60.25 -49.26 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.36 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 110' ' ' SER . . . . . 0.601 ' HA ' HD12 ' D' ' 113' ' ' LEU . 0.9 OUTLIER -56.25 -33.92 65.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.572 179.08 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 111' ' ' LEU . . . . . 0.699 HD23 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -57.01 -51.26 69.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.707 178.697 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 112' ' ' LEU . . . . . 0.816 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.4 mt -63.32 -41.77 98.95 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.477 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 113' ' ' LEU . . . . . 0.626 ' CD1' HG22 ' D' ' 109' ' ' ILE . 4.6 mt -58.76 -40.12 83.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.641 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.46 -50.46 72.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 0.0 110.366 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 115' ' ' LEU . . . . . 0.537 ' CD2' HG21 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -62.31 -50.49 71.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.839 179.076 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 116' ' ' VAL . . . . . 0.912 HG13 HG12 ' D' ' 86' ' ' ILE . 58.4 t -58.28 -36.07 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.376 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 117' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 41.1 mt-30 -89.01 -8.73 53.5 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 118' ' ' ASN . . . . . 0.403 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.4 OUTLIER -60.6 134.53 57.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.734 0.302 . . . . 0.0 110.393 179.554 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -59.11 5.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.441 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 120' ' ' ASP . . . . . 0.428 ' HB2' ' HG2' ' A' ' 54' ' ' GLN . 1.1 p30 -62.07 -45.72 92.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.152 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 121' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.6 t80 -57.39 -49.86 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.471 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 122' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 5.9 mt-30 -52.38 -46.02 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.979 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 123' ' ' ASN . . . . . 0.49 ' O ' HG13 ' D' ' 127' ' ' ILE . 7.6 m120 -59.76 -47.19 86.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 124' ' ' ALA . . . . . 0.69 ' HB2' ' OE1' ' A' ' 54' ' ' GLN . . . -56.42 -45.62 80.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.309 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 125' ' ' PHE . . . . . 0.625 ' CG ' HD12 ' D' ' 86' ' ' ILE . 22.1 t80 -59.66 -38.38 81.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 126' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 7.2 mmpt? -63.03 -40.2 97.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.368 . . . . 0.0 110.337 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 127' ' ' ILE . . . . . 0.847 HD11 HD11 ' B' ' 127' ' ' ILE . 4.6 mt -62.67 -49.8 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 128' ' ' HIS . . . . . 0.749 ' O ' ' HB ' ' D' ' 132' ' ' THR . 43.7 t60 -64.14 -38.54 91.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.768 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 129' ' ' ASN . . . . . 0.934 ' O ' HG23 ' D' ' 133' ' ' VAL . 43.9 t-20 -55.74 -60.87 2.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.62 -52.39 31.9 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 131' ' ' ILE . . . . . 0.832 HD12 HG22 ' D' ' 127' ' ' ILE . 57.9 mt -53.82 -37.13 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.78 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 132' ' ' THR . . . . . 0.749 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.77 -52.27 63.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.368 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 133' ' ' VAL . . . . . 0.934 HG23 ' O ' ' D' ' 129' ' ' ASN . 33.9 t -52.97 -43.93 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.861 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -63.43 -32.14 73.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.224 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -43.03 96.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.58 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -72.62 -40.18 66.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.941 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -49.43 63.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 59.83 85.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.031 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.805 0.336 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.656 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.1 mt-10 -68.07 -51.98 40.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.9 ttpp -59.66 -42.43 92.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.592 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.3 tpt -61.08 -42.7 98.99 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.514 ' NE2' HG23 ' A' ' 15' ' ' VAL . 30.9 tp60 -68.45 -34.61 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.452 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.702 HG22 HD23 ' D' ' 111' ' ' LEU . 35.4 t -60.15 -56.1 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.668 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.916 ' HA ' HD12 ' A' ' 16' ' ' LEU . 15.9 mt -56.35 -42.2 77.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.991 0.424 . . . . 0.0 110.083 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -28.39 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.685 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.806 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.1 t -73.58 -38.15 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.975 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 13' ' ' LEU . 7.6 mt -63.81 -42.63 97.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.743 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.75 -39.68 84.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.396 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -54.22 28.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.767 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.703 HD12 HD11 ' D' ' 112' ' ' LEU . 50.2 mt -53.37 -57.18 11.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.438 . . . . 0.0 110.597 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.695 ' CB ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -52.55 -35.53 53.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.94 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -45.47 96.5 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.944 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -62.47 -41.73 98.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.311 . . . . 0.0 110.84 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.797 HD21 HG23 ' D' ' 96' ' ' ILE . 23.8 mt -58.75 -50.59 73.37 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.038 0.447 . . . . 0.0 110.737 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.525 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -60.78 -28.4 68.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.117 179.311 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.42 -31.37 29.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.784 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.82 -30.94 26.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.261 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.26 22.48 3.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.627 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 46.2 m-20 -114.76 77.69 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.021 0.438 . . . . 0.0 110.31 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.525 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -93.25 36.17 1.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.814 179.553 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.7 m -105.25 -51.21 3.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.158 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.587 ' HB3' HD11 ' D' ' 96' ' ' ILE . 1.2 mp0 -69.99 -17.13 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.162 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.8 -42.95 27.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.468 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 2.1 pt-20 -56.82 -32.6 65.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.905 0.383 . . . . 0.0 110.658 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.691 ' HA ' HD21 ' D' ' 84' ' ' LEU . 38.7 mmtm -74.36 -41.47 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.453 . . . . 0.0 110.307 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.695 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.1 mt -70.63 -29.9 66.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.331 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.44 -35.84 53.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.124 0.487 . . . . 0.0 110.382 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.996 ' HB3' HD23 ' D' ' 84' ' ' LEU . . . -80.3 -42.74 22.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.977 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.474 ' CD2' HD21 ' A' ' 16' ' ' LEU . 36.8 t80 -63.09 -50.52 70.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.377 0.608 . . . . 0.0 109.792 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.655 ' CA ' HD13 ' A' ' 16' ' ' LEU . 7.7 t80 -59.51 -53.75 54.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.074 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' HA ' ' HG3' ' A' ' 43' ' ' LYS . 21.8 mm-40 -59.14 -52.23 66.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.99 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.62 HG22 ' CD2' ' A' ' 47' ' ' PHE . 95.0 m -56.01 -34.85 66.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.835 0.35 . . . . 0.0 110.342 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.662 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -63.4 -35.97 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.21 0.529 . . . . 0.0 109.994 178.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 39' ' ' TYR . 1.4 mtmt -72.39 -31.06 65.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.1 t -47.52 126.24 10.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.393 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.58 -29.95 78.74 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.417 2.078 . . . . 0.0 111.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.73 HD11 HD13 ' C' ' 57' ' ' ILE . 0.5 OUTLIER -70.02 -55.15 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.324 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.62 ' CD2' HG22 ' A' ' 41' ' ' THR . 9.7 t80 -58.5 -34.98 71.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.15 0.5 . . . . 0.0 110.006 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -50.69 68.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.167 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.644 ' HG3' HD11 ' C' ' 53' ' ' LEU . 8.0 pt20 -57.26 -33.81 67.98 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.502 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.59 HG12 HD21 ' C' ' 53' ' ' LEU . 1.4 mt -62.2 -52.23 62.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.781 0.324 . . . . 0.0 110.304 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.597 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -62.87 -32.98 74.34 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.222 179.389 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.8 m -53.99 -54.48 38.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.269 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.659 HD21 HG12 ' C' ' 50' ' ' ILE . 0.3 OUTLIER -59.24 -46.03 89.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.222 179.112 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.572 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.1 OUTLIER -58.75 -34.45 71.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.216 179.439 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.43 -38.01 88.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.202 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.9 t -61.1 -45.8 93.23 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.088 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.825 HG12 HD13 ' C' ' 46' ' ' LEU . 29.8 mt -59.49 -40.19 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.108 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.403 ' HA ' ' CG ' ' A' ' 61' ' ' LYS . 5.2 mmtt -61.32 -33.89 74.35 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.903 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -64.09 -39.25 93.65 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -59.44 -61.5 2.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.116 178.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.452 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 0.0 OUTLIER -56.04 -24.24 38.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.215 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.859 -179.77 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.853 0.358 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.618 HD11 HG22 ' B' ' 133' ' ' VAL . 0.2 OUTLIER -90.2 -159.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.619 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.8 ' CD2' HD22 ' B' ' 89' ' ' LEU . 12.1 tp -154.99 -37.34 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.74 107.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.962 HG12 HG13 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -53.11 -25.66 10.1 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.728 -179.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.88 -49.66 73.97 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.914 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -34.14 61.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.592 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.8 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.25 -28.97 64.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.465 179.439 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.1 t80 -71.83 -49.75 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 9.4 p -63.08 -26.92 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.521 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 12.1 t -65.24 -52.65 53.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.575 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.744 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -58.33 -38.96 78.19 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.981 0.419 . . . . 0.0 110.155 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -59.5 -40.21 86.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.795 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.412 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.4 t60 -69.49 -52.65 24.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' B' ' 93' ' ' LEU . 12.6 mt -50.8 -42.03 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.97 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.76 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -60.35 -50.94 71.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -80.35 -4.78 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.4 m -97.38 -32.18 12.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.405 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 1.055 HD12 HD11 ' B' ' 109' ' ' ILE . 63.5 mt -91.07 -53.73 4.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.14 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.0 38.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.695 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' B' ' 104' ' ' GLN . 9.2 m-20 -99.65 22.29 11.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.69 -72.52 0.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.693 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -59.14 -30.17 67.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.127 0.489 . . . . 0.0 109.855 179.285 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.861 ' O ' HD12 ' B' ' 109' ' ' ILE . 1.9 m -70.08 -42.48 72.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.551 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -34.69 76.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.959 0.409 . . . . 0.0 110.426 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.0 -41.44 74.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.701 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.77 ' HB3' HG13 ' C' ' 15' ' ' VAL . 25.9 m-20 -70.53 -43.23 70.0 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 1.055 HD11 HD12 ' B' ' 100' ' ' LEU . 4.5 mt -59.74 -49.04 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.392 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.605 ' HA ' HD12 ' B' ' 113' ' ' LEU . 8.3 t -55.78 -36.31 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.966 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.795 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.4 -51.5 68.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.958 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.815 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.1 mt -62.67 -41.86 99.31 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.633 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.7 mt -57.4 -40.69 78.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.607 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -52.29 64.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.543 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.644 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.1 mp -60.07 -49.66 76.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.225 0.535 . . . . 0.0 110.077 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.962 HG13 HG12 ' B' ' 86' ' ' ILE . 96.0 t -55.11 -37.76 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.891 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 57.2 mt-30 -87.59 -11.9 47.24 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.11 127.68 33.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.722 0.296 . . . . 0.0 110.488 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . 0.643 ' CE ' ' HB1' ' D' ' 130' ' ' ALA . 0.0 OUTLIER -51.92 -58.71 5.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.563 -179.507 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . 0.401 ' HB3' ' HG2' ' C' ' 54' ' ' GLN . 1.7 m-20 -59.59 -48.85 80.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 111.0 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.8 t80 -55.69 -54.57 42.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.615 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -51.75 -36.08 45.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.77 -49.73 75.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.851 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -56.99 -49.28 76.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.188 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.665 ' CD1' HD12 ' B' ' 86' ' ' ILE . 10.0 t80 -63.91 -39.04 93.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.272 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -39.38 90.43 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 110.401 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 1.105 HD11 HD11 ' D' ' 127' ' ' ILE . 6.5 mt -62.83 -49.64 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.563 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.653 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.2 t-80 -60.9 -44.54 96.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.189 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.662 ' O ' HG23 ' B' ' 133' ' ' VAL . 21.8 t-20 -55.33 -60.98 2.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.02 69.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.737 HD12 HG22 ' B' ' 127' ' ' ILE . 55.1 mt -56.7 -43.06 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.398 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.653 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -57.67 -45.35 85.7 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.409 0.623 . . . . 0.0 109.57 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 129' ' ' ASN . 90.6 t -54.88 -46.95 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.384 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -63.73 -31.63 72.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.202 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . 0.451 ' HE3' ' HA ' ' B' ' 132' ' ' THR . 27.0 ttm -57.75 -55.02 40.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.737 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.843 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.853 0.359 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.841 ' O ' HG23 ' C' ' 12' ' ' VAL . 7.9 mt-10 -67.24 -54.62 19.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.744 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 9.4 ttpt -55.97 -42.65 76.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -46.46 90.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.752 ' O ' HG23 ' C' ' 15' ' ' VAL . 26.4 tp60 -64.78 -34.34 78.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.841 HG23 ' O ' ' C' ' 8' ' ' GLU . 76.7 t -61.48 -50.03 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.846 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.865 ' HA ' HD12 ' C' ' 16' ' ' LEU . 13.8 mt -58.2 -44.93 88.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.402 . . . . 0.0 110.057 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -28.5 68.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.474 178.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.77 HG13 ' HB3' ' B' ' 108' ' ' ASP . 7.1 t -72.26 -37.98 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.823 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.865 HD12 ' HA ' ' C' ' 13' ' ' LEU . 10.5 mt -64.31 -40.92 96.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.838 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -71.07 -37.62 72.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.826 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -67.44 -54.53 19.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.667 HD12 HD11 ' B' ' 112' ' ' LEU . 96.0 mt -54.59 -53.25 57.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.617 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.758 ' N ' HD12 ' C' ' 35' ' ' LEU . 0.2 OUTLIER -55.02 -37.16 66.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.75 -44.4 97.01 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.906 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.502 ' HB3' HD22 ' B' ' 100' ' ' LEU . 6.4 mttm -63.64 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.626 0.25 . . . . 0.0 110.873 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.506 HD21 HG23 ' B' ' 96' ' ' ILE . 34.7 mt -61.64 -50.58 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 110.552 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -27.06 68.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.072 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.69 -32.48 28.06 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.54 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.02 -32.73 39.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.232 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.59 18.91 3.9 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.595 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -113.63 85.86 2.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.959 0.409 . . . . 0.0 110.201 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.714 HG22 ' ND2' ' C' ' 32' ' ' ASN . 0.3 OUTLIER -95.06 27.55 3.15 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.921 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -101.32 -54.99 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.465 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.412 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 2.9 mp0 -70.5 -22.31 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.607 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . 0.714 ' ND2' HG22 ' C' ' 29' ' ' THR . 35.1 p-10 -51.69 -42.6 62.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.652 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.91 -32.63 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.946 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.401 ' HA ' ' CD1' ' B' ' 84' ' ' LEU . 1.3 mmmm -69.35 -43.12 74.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.22 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.758 HD12 ' N ' ' C' ' 20' ' ' ARG . 1.0 OUTLIER -64.55 -32.53 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.519 179.616 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -39.39 49.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.941 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.652 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -69.08 -38.87 79.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.312 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.487 ' CA ' HD22 ' B' ' 84' ' ' LEU . 2.8 t80 -74.8 -35.18 62.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.246 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.749 ' HA ' HD13 ' C' ' 16' ' ' LEU . 2.5 t80 -68.94 -51.36 40.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.846 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -52.08 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.436 HG22 ' CE2' ' C' ' 47' ' ' PHE . 94.3 m -55.9 -39.06 71.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.876 0.37 . . . . 0.0 110.431 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.58 ' HB3' HD21 ' C' ' 13' ' ' LEU . 0.3 OUTLIER -62.44 -34.93 77.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.164 179.305 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.459 ' CD ' ' CE1' ' C' ' 39' ' ' TYR . 23.9 mtpt -80.08 -28.31 39.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.888 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.14 136.41 1.67 Allowed Pre-proline 0 N--CA 1.465 0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.471 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.67 -61.33 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.602 2.202 . . . . 0.0 112.67 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.825 HD13 HG12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.46 -34.24 68.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.694 ' CE1' HD21 ' C' ' 51' ' ' LEU . 28.5 t80 -62.56 -46.66 87.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.092 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -56.54 -37.5 70.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.885 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.412 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 12.6 mt-30 -61.82 -41.0 97.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.171 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.659 HG12 HD21 ' A' ' 53' ' ' LEU . 2.1 mt -60.51 -42.66 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.508 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.694 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.6 OUTLIER -66.45 -42.81 87.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.371 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 13.0 m -55.73 -39.66 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.202 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.644 HD11 ' HG3' ' A' ' 49' ' ' GLN . 0.5 OUTLIER -62.82 -50.98 68.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.03 179.049 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.749 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -60.0 -34.56 73.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.113 179.243 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.86 -40.57 93.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.219 0.533 . . . . 0.0 109.921 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 11.9 t -61.4 -42.04 98.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.405 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.905 HG21 HG21 ' D' ' 131' ' ' ILE . 3.1 mt -61.45 -36.13 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.059 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -40.94 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.726 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.12 -37.32 87.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.181 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.3 mt -57.31 -48.14 79.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.703 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . 0.4 ' HG3' ' HG3' ' D' ' 135' ' ' MET . 2.1 mtpt . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.01 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.954 HD11 HG22 ' D' ' 133' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.174 0.035 . . . . 0.0 111.055 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 0.996 HD23 ' HB3' ' A' ' 37' ' ' ALA . 2.7 tm? -153.59 -40.98 0.09 Allowed 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.54 104.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.664 0.269 . . . . 0.0 110.711 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 1.102 ' HA ' HD23 ' D' ' 89' ' ' LEU . 1.2 mp -64.44 -31.15 52.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -41.19 98.43 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.977 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -38.64 47.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.11 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 1.102 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.0 OUTLIER -72.13 -28.54 63.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.819 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.487 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.1 t80 -72.5 -47.74 46.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 85.3 p -63.79 -29.13 70.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.559 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . 0.6 ' C ' HD12 ' D' ' 96' ' ' ILE . 8.1 m -64.38 -53.43 48.64 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.795 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.742 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.8 OUTLIER -57.89 -35.18 70.66 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.4 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -59.17 -41.32 88.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.483 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -69.06 -55.95 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.797 HG23 HD21 ' A' ' 23' ' ' LEU . 5.2 mt -51.41 -33.83 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.089 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.587 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.7 OUTLIER -64.13 -49.55 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.977 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -77.46 -22.24 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.053 0.454 . . . . 0.0 110.422 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.14 -33.52 26.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.071 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.702 HD12 HD11 ' D' ' 109' ' ' ILE . 86.1 mt -101.06 86.79 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.27 36.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.23 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.35 12.37 22.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.893 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 4.7 m 69.28 -67.6 0.21 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.855 0.359 . . . . 0.0 111.17 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -36.92 70.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.043 0.449 . . . . 0.0 110.461 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.824 ' O ' HD12 ' D' ' 109' ' ' ILE . 13.2 p -66.07 -38.23 87.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.587 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -61.79 -38.37 87.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.012 0.434 . . . . 0.0 110.192 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.61 -41.29 88.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.817 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.749 ' CG ' HG22 ' A' ' 15' ' ' VAL . 51.9 m-20 -70.03 -42.48 72.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.665 0.745 . . . . 0.0 109.142 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.824 HD12 ' O ' ' D' ' 105' ' ' SER . 3.8 mt -58.91 -49.5 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.461 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.612 ' HA ' HD12 ' D' ' 113' ' ' LEU . 0.7 OUTLIER -56.96 -34.28 67.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.905 179.342 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.702 HD23 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -56.86 -51.41 69.16 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.001 179.091 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.826 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.2 mt -64.34 -41.12 96.93 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' D' ' 110' ' ' SER . 6.0 mt -56.97 -42.27 79.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.669 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -63.68 -50.37 69.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.62 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.613 HD21 HG21 ' A' ' 12' ' ' VAL . 3.1 mp -59.59 -47.88 83.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.434 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.826 HG23 ' O ' ' D' ' 112' ' ' LEU . 60.2 t -59.35 -39.92 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.713 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 57.6 mt-30 -83.52 -11.45 57.41 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . 0.406 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.9 OUTLIER -58.89 127.9 34.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.783 0.325 . . . . 0.0 110.566 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -58.42 6.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.441 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -49.99 75.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.998 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.3 t80 -55.84 -50.37 70.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -38.68 64.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.55 ' O ' HG13 ' D' ' 127' ' ' ILE . 34.6 m-20 -64.39 -52.24 59.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 111.136 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.572 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -57.07 -48.99 77.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.223 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.58 ' CG ' HD11 ' D' ' 86' ' ' ILE . 1.7 t80 -55.33 -40.29 71.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -62.16 -36.3 81.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.162 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 1.105 HD11 HD11 ' B' ' 127' ' ' ILE . 9.7 mt -60.92 -49.57 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.578 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.599 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.7 t-80 -65.75 -29.02 69.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.095 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.816 ' O ' HG23 ' D' ' 133' ' ' VAL . 33.9 m-20 -65.6 -61.27 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . 0.643 ' HB1' ' CE ' ' B' ' 119' ' ' LYS . . . -65.89 -52.17 52.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.478 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.905 HG21 HG21 ' C' ' 57' ' ' ILE . 48.8 mt -53.74 -35.8 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 110.449 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.599 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -61.73 -48.74 79.34 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.607 0.718 . . . . 0.0 109.328 178.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.954 HG22 HD11 ' D' ' 83' ' ' ILE . 15.5 t -53.12 -51.16 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.966 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.49 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.068 0.461 . . . . 0.0 110.104 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . 0.4 ' HG3' ' HG3' ' C' ' 61' ' ' LYS . 20.6 ttm . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.948 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.906 0.384 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.748 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.2 mm-40 -63.08 -55.37 26.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 12.3 ttpp -58.52 -44.82 89.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.626 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -43.0 99.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.897 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.4 tp60 -69.79 -30.71 68.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.75 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 8' ' ' GLU . 32.9 t -63.46 -56.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.502 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.817 ' HA ' HD12 ' A' ' 16' ' ' LEU . 17.1 mt -57.17 -42.74 81.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.156 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -28.18 67.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.561 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.814 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.4 t -74.44 -40.51 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.943 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 13' ' ' LEU . 8.8 mt -62.38 -38.9 91.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.822 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.59 -40.29 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -54.7 24.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.707 HD12 HD11 ' D' ' 112' ' ' LEU . 94.2 mt -55.18 -54.93 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.139 0.495 . . . . 0.0 110.319 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.804 ' HA ' HD12 ' A' ' 23' ' ' LEU . 3.5 tmm_? -51.12 -37.26 44.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.145 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.94 -47.56 87.78 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.085 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.665 ' HB3' HD22 ' D' ' 100' ' ' LEU . 1.5 mttm -59.46 -31.87 69.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.849 0.357 . . . . 0.0 110.555 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 20' ' ' ARG . 33.5 mt -66.57 -50.52 62.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.577 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -27.03 64.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.948 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -82.35 -30.48 30.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.343 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.811 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.6 OUTLIER -81.1 -39.62 25.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.475 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.67 -16.34 6.21 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.091 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 8.4 m-20 -97.91 74.14 2.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.9 t -90.23 12.16 18.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.5 m -70.52 -33.68 71.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.5 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.779 ' HB3' HD11 ' D' ' 96' ' ' ILE . 14.7 mm-40 -75.69 -11.53 60.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.494 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.443 ' HB3' ' HD3' ' A' ' 20' ' ' ARG . 7.4 m-20 -57.91 -39.46 78.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.431 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -56.91 -35.77 69.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.866 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.719 ' HG3' HD12 ' D' ' 84' ' ' LEU . 0.0 OUTLIER -66.23 -55.81 14.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.758 0.79 . . . . 0.0 109.707 179.041 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.699 HD12 ' HB2' ' A' ' 20' ' ' ARG . 1.9 mt -58.59 -29.97 66.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.288 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.5 p -76.95 -34.18 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.05 0.452 . . . . 0.0 110.397 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' D' ' 84' ' ' LEU . . . -76.12 -42.49 46.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.951 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CE1' HD11 ' A' ' 42' ' ' LEU . 3.0 t80 -71.53 -45.92 61.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.103 0.478 . . . . 0.0 110.402 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.638 ' HA ' HD13 ' A' ' 16' ' ' LEU . 37.9 t80 -58.29 -53.9 53.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.086 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.51 -48.76 76.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.602 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.435 HG22 ' CD2' ' A' ' 47' ' ' PHE . 54.5 m -52.95 -34.54 56.14 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.709 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -69.35 -32.2 71.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.66 178.532 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.669 ' CE ' HD13 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -67.41 -31.38 71.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.692 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -49.57 133.16 19.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.475 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.81 -37.55 5.02 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.472 2.115 . . . . 0.0 111.982 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.775 HD11 ' CG1' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -66.68 -49.58 65.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.993 179.486 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' A' ' 41' ' ' THR . 27.3 t80 -59.45 -44.05 93.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.258 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -56.78 -38.99 73.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.231 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -60.77 -42.96 98.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.054 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.703 HG12 HD21 ' C' ' 53' ' ' LEU . 3.2 mt -57.93 -51.99 63.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.569 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.601 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -57.38 -40.23 77.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.368 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.9 m -53.45 -46.61 69.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.829 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.69 HD11 HG12 ' C' ' 50' ' ' ILE . 0.8 OUTLIER -59.84 -38.81 83.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.539 178.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.582 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.5 OUTLIER -61.86 -37.28 83.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.946 178.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -62.3 -40.07 95.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.228 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 t -60.54 -50.09 74.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.211 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.869 HG21 HG21 ' B' ' 131' ' ' ILE . 64.6 mt -59.77 -35.98 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.27 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -58.3 -44.41 88.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.273 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -39.55 95.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.246 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.506 ' CD1' HD22 ' C' ' 46' ' ' LEU . 3.0 mt -56.93 -41.34 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.767 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -64.92 -52.66 55.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.626 0.25 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.841 HG22 ' ND2' ' B' ' 129' ' ' ASN . 0.6 OUTLIER -88.01 -36.99 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.042 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.827 HD21 HD22 ' B' ' 89' ' ' LEU . 9.2 tp 70.21 -52.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.947 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.01 115.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.923 HG12 HG13 ' B' ' 116' ' ' VAL . 1.3 mt -54.21 -24.63 11.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.705 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.02 -44.47 84.62 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.954 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.43 -34.22 36.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.658 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.827 HD22 HD21 ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.28 -31.76 66.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.235 179.277 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 19.2 t80 -72.28 -50.03 30.21 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.973 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -29.94 70.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.423 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . 0.442 ' C ' HD12 ' B' ' 96' ' ' ILE . 45.4 m -63.58 -51.65 64.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.335 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.772 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -56.63 -37.18 70.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.558 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -59.46 -41.11 88.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.573 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.412 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.9 t60 -68.86 -53.47 21.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.659 HG23 HD21 ' C' ' 23' ' ' LEU . 7.7 mt -52.04 -38.37 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.874 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.902 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -64.08 -49.41 72.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.742 179.637 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -82.66 -1.04 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.43 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . 0.401 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -101.53 -33.69 9.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.493 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.782 HD12 HD11 ' B' ' 109' ' ' ILE . 45.7 mt -91.22 -55.46 3.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.245 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.94 36.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.719 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.1 27.04 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.543 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.99 -73.58 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.693 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . 0.509 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -60.08 -27.39 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.251 0.548 . . . . 0.0 109.658 179.05 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.783 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -73.16 -47.42 43.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.408 179.092 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -66.69 -31.05 71.47 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.971 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' B' ' 104' ' ' GLN . 5.5 pt-20 -74.04 -39.34 63.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.133 0.492 . . . . 0.0 109.98 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.755 ' CG ' HG22 ' C' ' 15' ' ' VAL . 19.5 m-20 -70.91 -43.26 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.902 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.7 mt -59.29 -49.3 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.537 178.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.687 ' HA ' HD12 ' B' ' 113' ' ' LEU . 0.5 OUTLIER -54.54 -39.0 67.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.121 179.617 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.525 HD23 HG22 ' C' ' 12' ' ' VAL . 0.5 OUTLIER -56.72 -51.11 70.08 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.278 179.017 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.886 HD21 HG11 ' C' ' 15' ' ' VAL . 1.0 OUTLIER -60.37 -39.62 87.89 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.646 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' B' ' 110' ' ' SER . 4.6 mt -60.74 -41.37 95.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.999 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.85 -53.07 60.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.804 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.57 HD22 HG21 ' C' ' 12' ' ' VAL . 0.9 OUTLIER -64.9 -35.2 80.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.559 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.923 HG13 HG12 ' B' ' 86' ' ' ILE . 49.3 t -69.09 -40.64 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.292 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 51.7 mt-30 -81.45 -13.02 58.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.91 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -53.01 123.05 10.59 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.639 0.257 . . . . 0.0 110.401 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -49.14 -59.43 3.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.61 -50.28 74.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.774 0.321 . . . . 0.0 111.005 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 6.1 t80 -56.25 -52.29 64.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.619 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -49.83 -38.06 33.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . 0.457 ' O ' HG13 ' B' ' 127' ' ' ILE . 3.8 m-20 -65.89 -48.69 70.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.655 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.764 ' HB2' ' NE2' ' C' ' 54' ' ' GLN . . . -56.96 -49.63 75.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.662 ' CD1' HD12 ' B' ' 86' ' ' ILE . 26.2 t80 -59.76 -34.86 73.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.566 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -31.86 72.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.374 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.656 HD11 ' CD1' ' D' ' 127' ' ' ILE . 7.8 mt -67.01 -49.68 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.374 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.699 ' O ' ' HB ' ' B' ' 132' ' ' THR . 23.7 t-80 -69.92 -37.61 75.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.599 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.903 ' O ' HG23 ' B' ' 133' ' ' VAL . 15.0 t-20 -55.46 -60.65 3.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.724 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.71 -49.04 72.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.663 0.268 . . . . 0.0 111.541 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.869 HG21 HG21 ' A' ' 57' ' ' ILE . 79.3 mt -56.74 -41.63 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.151 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.77 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.4 OUTLIER -61.28 -43.78 98.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.164 0.507 . . . . 0.0 109.704 179.031 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.903 HG23 ' O ' ' B' ' 129' ' ' ASN . 46.7 t -52.94 -51.01 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.754 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.3 -30.78 71.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.495 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 11.1 ttm -57.46 -61.93 2.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.863 0.363 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.519 ' O ' HG23 ' C' ' 12' ' ' VAL . 5.3 mm-40 -60.79 -36.14 78.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.426 ' O ' ' HB ' ' C' ' 12' ' ' VAL . 3.0 tptm -64.78 -48.99 72.46 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 6.4 mmt -61.81 -36.02 79.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.637 ' NE2' HG21 ' C' ' 15' ' ' VAL . 7.6 tm0? -70.92 -34.65 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.566 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.57 HG21 HD22 ' B' ' 115' ' ' LEU . 2.5 t -58.93 -51.28 74.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.426 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.916 ' HA ' HD12 ' C' ' 16' ' ' LEU . 16.0 mt -60.74 -45.07 95.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.959 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -28.56 69.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.662 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.886 HG11 HD21 ' B' ' 112' ' ' LEU . 2.5 t -73.69 -36.73 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.902 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' C' ' 13' ' ' LEU . 11.6 mt -64.17 -40.57 96.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.51 -40.39 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -54.07 31.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.948 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.751 HD12 HD11 ' B' ' 112' ' ' LEU . 75.2 mt -54.98 -57.63 10.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.79 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.77 ' HB3' HD12 ' C' ' 35' ' ' LEU . 1.1 ppt_? -55.09 -30.52 59.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.74 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.93 -46.85 88.13 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.812 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.709 ' HB3' HD22 ' B' ' 100' ' ' LEU . 2.2 mttp -61.49 -37.44 83.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 110.564 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.659 HD21 HG23 ' B' ' 96' ' ' ILE . 26.7 mt -62.93 -50.19 71.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.982 0.42 . . . . 0.0 110.366 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.543 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -58.99 -27.97 65.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.063 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.32 -32.51 29.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.592 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -81.27 -31.06 33.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.176 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.23 21.52 3.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.632 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.44 81.93 1.7 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.874 0.368 . . . . 0.0 110.179 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.543 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -92.4 15.67 13.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.248 179.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 20.1 m -88.78 -43.31 11.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.396 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.455 ' HB2' HD13 ' C' ' 23' ' ' LEU . 3.1 mp0 -76.33 -26.67 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.789 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -51.45 -42.38 61.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.726 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.94 -32.64 66.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.133 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -72.57 -44.15 62.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.176 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.2 mt -64.37 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.48 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 m -77.16 -33.84 56.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.206 0.527 . . . . 0.0 109.965 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.722 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.24 -44.65 62.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.544 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.697 ' CE2' HD11 ' C' ' 42' ' ' LEU . 24.5 t80 -70.35 -44.32 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.36 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.655 ' HA ' HD13 ' C' ' 16' ' ' LEU . 22.7 t80 -58.86 -53.67 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.029 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.443 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 6.3 mm-40 -58.94 -48.11 82.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.665 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.83 HG22 ' CD2' ' C' ' 47' ' ' PHE . 60.2 m -57.85 -40.64 80.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.505 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.697 HD11 ' CE2' ' C' ' 38' ' ' PHE . 1.7 mt -61.42 -32.79 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.213 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.477 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -72.41 -32.77 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.739 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -46.82 122.35 7.22 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.209 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.35 -37.65 59.36 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.513 2.142 . . . . 0.0 112.134 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.744 HD11 ' CG1' ' A' ' 57' ' ' ILE . 1.5 tp -64.76 -55.02 22.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.191 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.83 ' CD2' HG22 ' C' ' 41' ' ' THR . 11.4 t80 -58.03 -42.15 84.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.323 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.92 -38.68 70.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.166 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.445 ' HB3' HD12 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -63.95 -40.55 96.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.092 179.219 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.69 HG12 HD11 ' A' ' 53' ' ' LEU . 3.9 mt -59.32 -47.75 89.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.764 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.821 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.5 OUTLIER -67.87 -42.8 80.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.385 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 68.4 m -55.18 -39.7 69.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.996 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.703 HD21 HG12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -63.14 -49.33 74.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.999 179.073 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.764 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.1 OUTLIER -58.97 -35.5 73.27 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.125 179.18 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -62.99 -37.97 89.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.045 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -52.72 63.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.071 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.775 ' CG1' HD11 ' A' ' 46' ' ' LEU . 56.5 mt -60.05 -41.62 86.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.178 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -35.39 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.94 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -66.25 -40.39 90.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.036 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -56.9 -45.1 82.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.44 179.36 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.856 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.718 HD11 HG22 ' D' ' 133' ' ' VAL . 1.1 pt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.661 0.267 . . . . 0.0 110.581 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 0.719 HD12 ' HG3' ' A' ' 34' ' ' LYS . 2.4 pt? -157.92 -0.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.0 OUTLIER 58.75 143.15 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.897 0.38 . . . . 0.0 110.899 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.862 HG23 ' CG1' ' D' ' 116' ' ' VAL . 0.8 OUTLIER -70.3 -36.75 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.365 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -38.38 88.55 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.649 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -43.92 32.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.782 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.726 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -72.81 -28.26 62.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.827 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 25.6 t80 -70.37 -43.86 69.27 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 6.6 t -62.69 -34.88 78.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . 0.825 ' C ' HD12 ' D' ' 96' ' ' ILE . 0.6 OUTLIER -62.89 -53.08 59.62 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.66 179.215 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.741 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -53.77 -36.19 62.12 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -59.43 -45.22 92.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -66.37 -56.15 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.825 HD12 ' C ' ' D' ' 92' ' ' SER . 4.2 mt -50.9 -34.51 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.192 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.789 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.3 OUTLIER -66.89 -48.51 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 179.774 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -76.66 -19.21 58.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.45 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -84.81 -37.56 20.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.949 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.829 HD12 HD11 ' D' ' 109' ' ' ILE . 44.4 mt -100.1 84.29 2.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.04 36.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.24 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -91.1 16.41 9.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.28 -68.34 0.19 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.211 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -57.45 -33.72 68.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.123 0.487 . . . . 0.0 110.415 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.831 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.2 OUTLIER -68.08 -41.39 81.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.596 179.591 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -34.1 74.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.059 0.457 . . . . 0.0 110.139 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -42.26 76.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.805 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.774 ' HB3' HG13 ' A' ' 15' ' ' VAL . 58.1 m-20 -70.23 -41.81 73.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.613 0.72 . . . . 0.0 109.086 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.831 HD12 ' O ' ' D' ' 105' ' ' SER . 4.3 mt -60.69 -49.33 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.502 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.622 ' HA ' HD12 ' D' ' 113' ' ' LEU . 56.6 m -56.84 -33.54 66.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.107 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.433 ' HA ' ' HG2' ' D' ' 114' ' ' GLN . 0.4 OUTLIER -59.71 -51.44 69.78 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.969 179.228 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.825 ' O ' HG23 ' D' ' 116' ' ' VAL . 4.0 mt -60.16 -43.92 95.42 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' D' ' 110' ' ' SER . 4.0 mt -57.25 -46.45 83.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.347 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . 0.575 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -60.95 -38.6 86.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.841 -179.811 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.582 HD21 HG21 ' A' ' 12' ' ' VAL . 6.1 mp -67.11 -44.23 80.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.862 ' CG1' HG23 ' D' ' 86' ' ' ILE . 71.1 t -58.87 -53.22 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.319 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -64.39 -25.1 67.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.224 -179.643 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . 0.402 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.4 OUTLIER -52.8 125.51 17.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 110.699 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -58.16 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.579 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 3.6 m-20 -56.13 -50.33 71.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.149 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.1 t80 -56.44 -56.21 23.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.486 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . 0.491 ' HG2' HD13 ' D' ' 86' ' ' ILE . 4.3 tt0 -50.97 -33.73 25.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.618 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.455 ' HB3' ' CD1' ' B' ' 127' ' ' ILE . 16.8 m-20 -68.42 -46.36 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.031 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.582 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -59.1 -49.43 77.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.487 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.685 ' HZ ' HD23 ' D' ' 84' ' ' LEU . 14.3 t80 -64.01 -34.7 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.704 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -35.03 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.496 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 0.656 ' CD1' HD11 ' B' ' 127' ' ' ILE . 55.4 mt -72.38 -49.73 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.002 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.669 ' O ' ' HB ' ' D' ' 132' ' ' THR . 3.7 t-80 -67.59 -36.53 81.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.891 ' O ' HG23 ' D' ' 133' ' ' VAL . 2.5 t30 -66.56 -60.11 3.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.3 65.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.69 HG21 ' CG2' ' C' ' 57' ' ' ILE . 70.1 mt -54.53 -45.67 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.401 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.669 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -57.18 -44.29 83.4 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.315 0.579 . . . . 0.0 109.746 179.1 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.891 HG23 ' O ' ' D' ' 129' ' ' ASN . 46.4 t -57.29 -44.73 84.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.659 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -33.09 74.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.998 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . 0.45 ' HE2' ' HB2' ' D' ' 135' ' ' MET . 13.7 ttm . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.547 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.918 0.39 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.852 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -68.19 -54.03 20.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.6 tttp -54.83 -43.29 72.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.982 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.64 -48.28 81.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.994 0.426 . . . . 0.0 109.865 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.57 ' NE2' HG23 ' A' ' 15' ' ' VAL . 30.3 tp60 -64.06 -31.9 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.671 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 8' ' ' GLU . 57.9 t -61.21 -55.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.453 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 42' ' ' LEU . 16.1 mt -54.01 -44.25 70.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.019 0.438 . . . . 0.0 110.031 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -28.61 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.604 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.834 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.2 t -73.87 -37.11 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.874 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.58 ' CD2' HD13 ' D' ' 112' ' ' LEU . 61.4 mt -64.05 -40.8 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.614 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -68.07 -44.1 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.827 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -54.5 40.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.026 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.68 HD22 HD12 ' D' ' 100' ' ' LEU . 71.7 mt -52.96 -56.53 15.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.437 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.447 ' CA ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -48.76 -37.85 20.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.974 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.78 -51.21 60.07 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.099 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.751 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.2 OUTLIER -57.35 -34.91 69.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 111.157 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.802 HD23 HD21 ' D' ' 100' ' ' LEU . 21.8 mt -66.59 -50.34 63.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -27.69 64.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.398 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.75 -36.68 25.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.138 0.494 . . . . 0.0 110.223 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -76.01 -32.13 59.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.316 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.41 21.23 5.57 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.553 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 2.7 m-20 -112.85 81.12 1.44 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.05 0.452 . . . . 0.0 109.98 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.85 21.25 6.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.209 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 m -93.69 -44.29 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.491 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.631 ' HB3' HD11 ' D' ' 96' ' ' ILE . 5.5 mp0 -73.21 -25.6 60.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.544 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -48.69 -40.37 27.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.703 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.01 -32.93 68.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.073 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -74.91 -41.22 60.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.175 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.678 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -67.16 -34.88 78.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.228 179.485 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -75.87 -35.52 59.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.676 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.018 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.16 -41.93 73.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.131 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 3.0 t80 -71.47 -51.05 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.505 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.477 ' CE2' ' HD3' ' A' ' 43' ' ' LYS . 80.6 t80 -54.0 -54.3 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.539 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.3 -52.2 66.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.498 HG22 ' CD2' ' A' ' 47' ' ' PHE . 85.0 m -58.62 -36.09 73.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.944 0.402 . . . . 0.0 110.476 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.575 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -62.32 -32.22 72.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.115 179.115 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HD3' ' CE2' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -78.32 -30.61 48.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.298 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -43.42 140.34 2.28 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.667 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.33 -44.9 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.616 2.211 . . . . 0.0 112.403 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.4 OUTLIER -59.1 -55.21 37.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.153 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CE1' HD21 ' A' ' 51' ' ' LEU . 11.9 t80 -56.94 -40.28 76.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -57.43 -44.46 84.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.506 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -58.16 -38.9 77.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.263 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.444 HG12 HD21 ' C' ' 53' ' ' LEU . 4.3 mt -61.83 -52.49 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.909 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.625 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.58 -35.42 80.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.9 m -53.59 -50.19 66.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.285 0.564 . . . . 0.0 109.706 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.821 HD21 HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -58.89 -45.19 90.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.407 178.481 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.726 HE21 ' HB2' ' D' ' 124' ' ' ALA . 5.6 mm-40 -60.98 -31.8 71.38 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.799 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -61.04 -42.92 99.38 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.662 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -43.78 96.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.523 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.914 HG21 HG21 ' B' ' 131' ' ' ILE . 62.0 mt -60.24 -38.29 76.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.793 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -38.9 80.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.929 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.45 -40.03 94.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.272 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.4 mt -55.22 -50.33 69.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.579 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -60.37 -42.59 96.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.419 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.725 0.298 . . . . 0.0 110.706 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.646 HG22 ' ND2' ' B' ' 129' ' ' ASN . 0.2 OUTLIER -92.92 -54.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.401 . . . . 0.0 110.892 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 1.045 HD13 ' HB3' ' C' ' 37' ' ' ALA . 2.8 tp 62.49 52.68 2.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 84' ' ' LEU . 5.1 mm-40 -37.39 126.12 1.05 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.645 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.916 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -49.44 -27.43 2.74 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.651 -179.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.54 -40.81 96.27 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.246 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -37.96 33.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.143 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.899 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.2 -28.88 63.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.319 179.399 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 50.6 t80 -72.5 -50.0 29.0 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -28.92 69.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . 0.418 ' C ' HD12 ' B' ' 96' ' ' ILE . 28.7 t -63.57 -53.44 51.74 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.456 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.805 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.4 OUTLIER -58.84 -34.08 71.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -59.73 -42.96 94.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.438 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.453 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.5 t60 -68.33 -52.85 28.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.753 HG23 HD21 ' C' ' 23' ' ' LEU . 9.6 mt -51.68 -39.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.994 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.859 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -62.44 -51.93 65.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -80.2 -4.6 53.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.418 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . 0.402 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -96.76 -33.54 11.66 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.41 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.949 HD12 HD11 ' B' ' 109' ' ' ILE . 27.1 mt -90.96 -57.9 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.165 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.81 36.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.778 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -96.61 26.03 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.629 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' B' ' 106' ' ' GLN . 0.5 OUTLIER 66.51 -72.42 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.59 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -61.81 -29.11 69.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.153 0.502 . . . . 0.0 109.668 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.761 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -72.28 -46.32 56.31 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.76 179.337 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' B' ' 103' ' ' SER . 4.2 pt20 -63.77 -30.4 71.5 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.587 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -40.98 66.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 0.0 110.256 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.777 ' CG ' HG22 ' C' ' 15' ' ' VAL . 49.7 m-20 -70.67 -42.34 70.88 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.949 HD11 HD12 ' B' ' 100' ' ' LEU . 5.7 mt -60.73 -49.38 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.492 178.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.633 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.3 m -56.35 -34.89 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.095 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.539 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -58.56 -51.56 69.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.211 179.11 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.89 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.4 mt -61.18 -43.04 99.5 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' B' ' 110' ' ' SER . 4.4 mt -56.35 -49.74 73.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.681 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.422 ' HA ' ' CG ' ' B' ' 117' ' ' GLN . 6.3 mt-30 -60.93 -44.0 97.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.62 ' CD2' HG21 ' C' ' 12' ' ' VAL . 3.0 mp -60.31 -41.45 93.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.737 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.916 HG13 HG12 ' B' ' 86' ' ' ILE . 64.5 t -65.09 -53.6 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.534 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 113' ' ' LEU . 0.1 OUTLIER -65.54 -16.32 63.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.85 -179.28 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.43 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 0.7 OUTLIER -54.95 131.54 44.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.824 0.345 . . . . 0.0 110.642 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.36 -58.69 7.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.59 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.52 -48.64 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' B' ' 115' ' ' LEU . 12.2 t80 -55.74 -53.26 58.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.57 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.419 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 1.4 mt-30 -49.76 -40.18 40.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.383 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -59.95 -45.67 91.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.878 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -61.31 -43.82 98.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.519 ' CB ' HD11 ' B' ' 86' ' ' ILE . 3.5 t80 -64.41 -36.54 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.203 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 2.9 mmtt -68.26 -40.79 81.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.993 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 1.132 HD11 HD11 ' D' ' 127' ' ' ILE . 6.1 mt -60.92 -49.92 82.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.097 0.475 . . . . 0.0 110.607 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.727 ' O ' ' HB ' ' B' ' 132' ' ' THR . 28.0 t-80 -69.55 -35.37 75.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.449 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.871 ' O ' HG23 ' B' ' 133' ' ' VAL . 9.7 t-20 -55.36 -60.48 3.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.579 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.82 -49.74 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.627 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.914 HG21 HG21 ' A' ' 57' ' ' ILE . 81.8 mt -56.74 -47.11 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.237 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.727 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -55.51 -47.81 75.65 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.316 0.579 . . . . 0.0 109.563 179.092 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.871 HG23 ' O ' ' B' ' 129' ' ' ASN . 63.3 t -55.27 -48.28 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.464 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.14 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . 0.484 ' HE2' HG22 ' B' ' 131' ' ' ILE . 0.0 OUTLIER -66.4 -44.23 83.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.514 179.757 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 40.8 t30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.9 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.802 ' O ' HG23 ' C' ' 12' ' ' VAL . 3.8 mt-10 -62.96 -49.03 76.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 7.0 ttpt -58.5 -43.3 89.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 2.4 mmt -61.02 -45.05 96.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.862 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.5 ' NE2' HG23 ' C' ' 15' ' ' VAL . 31.8 tp60 -67.46 -33.78 75.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.5 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.802 HG23 ' O ' ' C' ' 8' ' ' GLU . 50.8 t -62.71 -52.58 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.819 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.71 ' HA ' HD12 ' C' ' 16' ' ' LEU . 13.6 mt -58.11 -40.69 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.384 . . . . 0.0 110.14 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -28.53 64.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.684 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.807 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.1 t -72.23 -41.0 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.767 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.723 HD13 ' HA ' ' C' ' 39' ' ' TYR . 5.5 mt -64.07 -41.46 97.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.643 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.49 -40.88 96.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.532 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -69.7 -54.45 13.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.729 HD12 HD11 ' B' ' 112' ' ' LEU . 77.1 mt -54.37 -55.45 28.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.13 0.491 . . . . 0.0 110.337 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.653 ' N ' HD12 ' C' ' 35' ' ' LEU . 4.1 tmm_? -52.37 -41.02 62.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.139 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.26 97.28 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.196 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.483 ' HB3' HD22 ' B' ' 100' ' ' LEU . 2.4 mttm -66.98 -32.55 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.946 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.753 HD21 HG23 ' B' ' 96' ' ' ILE . 41.6 mt -67.73 -50.77 55.6 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.17 0.509 . . . . 0.0 110.168 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -26.67 68.88 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.177 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.99 -34.84 26.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.625 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.444 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.3 OUTLIER -79.33 -29.29 42.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.434 -179.591 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.37 14.25 4.99 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.708 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -108.05 79.82 1.31 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.977 0.418 . . . . 0.0 109.953 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.77 23.7 4.61 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.202 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . 0.663 HG22 HE21 ' C' ' 31' ' ' GLN . 3.9 m -102.43 -54.58 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.124 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.663 HE21 HG22 ' C' ' 30' ' ' THR . 2.1 mm-40 -74.84 -21.11 59.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.548 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . 0.499 ' HA ' ' HG2' ' C' ' 20' ' ' ARG . 0.0 OUTLIER -55.26 -34.24 63.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.038 0.447 . . . . 0.0 110.272 179.548 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -32.9 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.57 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -65.17 -44.64 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.739 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.653 HD12 ' N ' ' C' ' 20' ' ' ARG . 2.2 mt -62.78 -31.97 73.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.456 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 50.2 m -75.77 -34.64 60.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.924 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 1.045 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -71.82 -45.73 60.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.355 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.762 ' CE2' HD11 ' C' ' 42' ' ' LEU . 51.3 t80 -66.61 -50.96 61.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.175 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.723 ' HA ' HD13 ' C' ' 16' ' ' LEU . 8.7 t80 -54.95 -53.7 52.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.063 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.505 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 2.0 mt-10 -57.96 -48.8 78.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.772 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.661 HG22 ' CD2' ' C' ' 47' ' ' PHE . 91.3 m -53.77 -39.9 65.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.302 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.762 HD11 ' CE2' ' C' ' 38' ' ' PHE . 4.5 mt -63.66 -33.56 75.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.202 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.505 ' HG3' ' HA ' ' C' ' 40' ' ' GLU . 3.0 mmmt -69.99 -29.6 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.759 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -45.76 133.95 6.5 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.264 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.03 -47.53 2.36 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.501 2.134 . . . . 0.0 112.178 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.714 HD11 HD11 ' A' ' 57' ' ' ILE . 2.1 tp -62.73 -52.06 64.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.226 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.661 ' CD2' HG22 ' C' ' 41' ' ' THR . 13.2 t80 -55.39 -43.51 75.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.512 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -57.15 -39.59 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.319 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.27 -37.72 88.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.501 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.821 HG12 HD21 ' A' ' 53' ' ' LEU . 3.3 mt -61.7 -46.49 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.469 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.616 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -64.35 -39.58 94.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.082 179.619 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 26.5 m -53.72 -46.58 70.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.985 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.444 HD21 HG12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -60.21 -45.1 94.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.797 178.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.59 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.3 OUTLIER -59.47 -35.94 75.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.262 179.224 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -63.12 -39.2 94.0 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.138 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 45.8 t -60.81 -46.45 90.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.867 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.878 HG21 HG21 ' D' ' 131' ' ' ILE . 7.5 mt -60.93 -35.25 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.12 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -60.14 -40.61 90.41 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.751 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.8 -43.59 98.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.959 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -51.12 -50.94 57.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.508 179.274 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.733 HD11 HG22 ' D' ' 133' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.61 0.243 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 1.018 HD13 ' HB3' ' A' ' 37' ' ' ALA . 56.9 tp -157.68 -39.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 111.306 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.26 100.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.044 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.941 HG12 HG13 ' D' ' 116' ' ' VAL . 0.8 OUTLIER -49.99 -24.96 2.13 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.7 -179.166 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.37 -48.98 77.37 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.85 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -74.69 -36.26 62.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.757 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.722 HD23 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -70.57 -28.75 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.618 179.601 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.593 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.1 t80 -71.86 -48.95 42.39 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 27.1 t -62.0 -28.96 69.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.697 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . 0.777 ' C ' HD12 ' D' ' 96' ' ' ILE . 2.3 t -64.71 -53.54 45.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.818 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.775 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -57.83 -37.71 74.33 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.849 0.357 . . . . 0.0 110.304 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -59.22 -43.24 92.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.822 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . 0.493 ' CE1' ' HG1' ' D' ' 99' ' ' THR . 2.1 t60 -68.57 -53.97 19.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.777 HD12 ' C ' ' D' ' 92' ' ' SER . 5.4 mt -50.68 -37.47 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.048 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.807 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.2 OUTLIER -64.32 -48.82 74.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.752 179.432 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -1.98 52.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.409 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . 0.493 ' HG1' ' CE1' ' D' ' 95' ' ' HIS . 1.6 m -100.54 -34.37 9.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.577 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.802 HD21 HD23 ' A' ' 23' ' ' LEU . 15.0 mt -87.62 -53.95 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.413 . . . . 0.0 110.226 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.84 37.1 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.646 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.2 OUTLIER -97.56 23.14 8.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.743 179.651 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 33.1 t 65.8 -71.71 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.72 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' D' ' 102' ' ' ASP . 39.3 tp60 -60.9 -30.96 70.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.147 0.499 . . . . 0.0 109.94 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.835 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.4 OUTLIER -70.8 -39.65 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.475 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.71 -36.04 82.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.948 0.404 . . . . 0.0 110.261 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.57 -40.46 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.752 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.759 ' HB3' HG13 ' A' ' 15' ' ' VAL . 41.5 m-20 -70.7 -44.16 67.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.835 HD12 ' O ' ' D' ' 105' ' ' SER . 4.2 mt -58.72 -49.41 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.428 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.627 ' HA ' HD12 ' D' ' 113' ' ' LEU . 70.8 m -57.35 -34.77 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.024 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.717 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.78 -51.34 69.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.941 179.067 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.834 HD21 ' CG1' ' A' ' 15' ' ' VAL . 1.1 mt -63.73 -40.18 96.12 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.439 178.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.628 ' CD1' HG22 ' D' ' 109' ' ' ILE . 5.8 mt -59.17 -40.49 85.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.616 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -52.49 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.43 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.542 ' CD2' HG21 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -60.27 -50.66 72.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.299 0.571 . . . . 0.0 109.72 179.133 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.941 HG13 HG12 ' D' ' 86' ' ' ILE . 89.2 t -54.3 -40.85 49.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.442 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.436 ' HG2' ' CZ ' ' D' ' 90' ' ' PHE . 70.9 mt-30 -86.54 -7.8 58.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.646 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.87 131.64 47.28 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.778 0.323 . . . . 0.0 110.429 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -58.61 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.682 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.31 -50.05 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.414 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.1 t80 -55.73 -55.63 29.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.785 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -54.48 -35.06 62.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.231 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.595 ' O ' HG13 ' D' ' 127' ' ' ILE . 97.0 m-20 -61.08 -51.41 69.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.793 0.33 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.726 ' HB2' HE21 ' A' ' 54' ' ' GLN . . . -56.32 -49.1 75.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.214 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.647 ' HB3' HD12 ' D' ' 86' ' ' ILE . 1.7 t80 -53.64 -41.52 66.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -36.38 83.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.455 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 1.132 HD11 HD11 ' B' ' 127' ' ' ILE . 13.8 mt -63.2 -49.71 82.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.082 0.468 . . . . 0.0 110.427 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.792 ' O ' ' HB ' ' D' ' 132' ' ' THR . 13.5 t-80 -66.13 -27.87 68.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.694 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.846 ' O ' HG23 ' D' ' 133' ' ' VAL . 6.9 t-20 -64.87 -60.62 2.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.734 0.302 . . . . 0.0 111.662 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.22 -50.72 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.945 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.878 HG21 HG21 ' C' ' 57' ' ' ILE . 54.0 mt -53.81 -40.29 43.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.243 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.792 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.6 OUTLIER -63.3 -50.58 69.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.329 0.585 . . . . 0.0 109.484 178.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.846 HG23 ' O ' ' D' ' 129' ' ' ASN . 53.7 t -55.42 -50.08 68.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.9 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.33 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.296 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.815 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.87 0.366 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.785 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -62.82 -58.21 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.73 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 7.6 ttpt -57.7 -41.79 82.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.53 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -42.69 98.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.517 ' NE2' HG23 ' A' ' 15' ' ' VAL . 22.8 tp60 -69.27 -33.37 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.496 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 8' ' ' GLU . 70.8 t -60.45 -56.15 19.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.291 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.848 HD13 ' NZ ' ' A' ' 43' ' ' LYS . 24.3 mt -53.86 -47.33 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.004 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -28.19 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.729 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.814 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.1 t -73.93 -36.79 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.132 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 13' ' ' LEU . 21.0 mt -64.32 -41.89 96.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -39.24 74.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.772 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -54.09 28.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.999 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.621 HD12 HD11 ' D' ' 112' ' ' LEU . 66.4 mt -55.37 -57.78 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.028 0.442 . . . . 0.0 110.759 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.766 ' HB3' HD12 ' A' ' 35' ' ' LEU . 4.4 ppt_? -55.01 -30.17 58.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.71 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.26 -48.85 65.33 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.865 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HB3' HD22 ' D' ' 100' ' ' LEU . 2.7 mttm -60.95 -32.93 72.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.38 . . . . 0.0 110.433 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 20' ' ' ARG . 39.6 mt -65.1 -50.4 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.455 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HG3' ' ND2' ' A' ' 32' ' ' ASN . 0.4 OUTLIER -58.6 -27.02 64.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.895 178.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.19 -29.39 31.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.517 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.1 OUTLIER -84.08 -38.32 20.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.448 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.96 -17.92 5.96 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.919 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 8.8 m-20 -92.93 68.88 4.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.032 0.444 . . . . 0.0 110.02 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.5 t -86.07 13.34 7.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.642 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.22 -35.32 73.8 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.627 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -79.94 -22.73 42.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.714 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 29' ' ' THR . 2.8 m-20 -48.51 -46.11 38.06 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.82 0.343 . . . . 0.0 110.633 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -32.52 66.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.903 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -72.14 -36.57 69.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.264 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.766 HD12 ' HB3' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -70.24 -39.84 74.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.0 p -72.23 -37.63 69.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.393 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.71 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -61.18 -47.13 87.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.605 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.507 ' HB2' HD22 ' D' ' 84' ' ' LEU . 4.3 t80 -69.77 -36.22 75.57 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.262 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.618 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -53.87 -54.08 43.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.357 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.88 -52.16 52.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.006 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.9 m -53.04 -27.83 21.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.826 0.346 . . . . 0.0 110.532 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.658 HD12 HD11 ' A' ' 16' ' ' LEU . 5.9 mt -75.51 -39.07 58.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.848 ' NZ ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -67.35 -24.95 65.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -46.71 119.74 5.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.388 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.37 -45.34 12.08 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.531 2.154 . . . . 0.0 111.945 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.749 HD11 HD11 ' C' ' 57' ' ' ILE . 0.5 OUTLIER -59.86 -44.73 94.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.004 179.501 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.49 ' CE1' HD21 ' A' ' 51' ' ' LEU . 16.0 t80 -57.8 -45.22 86.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.473 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -56.73 -40.04 75.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.485 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -61.01 -40.59 94.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.508 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.708 HG12 HD21 ' C' ' 53' ' ' LEU . 1.9 mt -60.25 -48.44 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.747 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.602 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -64.92 -40.68 95.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.446 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.7 m -53.6 -47.17 70.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.018 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.859 HD21 HG12 ' C' ' 50' ' ' ILE . 1.1 tt -58.24 -45.54 87.56 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.669 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.563 ' HA ' HD12 ' A' ' 57' ' ' ILE . 15.3 mt-30 -60.93 -33.93 73.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.82 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -41.13 90.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.763 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 m -61.3 -49.13 78.27 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.867 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.698 ' CG1' HD12 ' C' ' 46' ' ' LEU . 15.0 mt -61.63 -37.55 78.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.967 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -35.98 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.016 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -58.46 -61.28 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.836 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -49.43 -46.2 47.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.567 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG2' ' HG3' ' B' ' 135' ' ' MET . 5.8 mtmt -47.99 -44.45 30.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.724 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.799 179.765 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' C' ' 37' ' ' ALA . 4.3 mmmt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.647 0.261 . . . . 0.0 110.62 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.651 HG22 ' HB2' ' B' ' 129' ' ' ASN . 0.2 OUTLIER -92.21 -61.42 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 0.0 111.019 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 1.061 HD13 ' HB3' ' C' ' 37' ' ' ALA . 2.7 tp 63.52 53.17 2.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.15 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -41.11 128.2 2.8 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.492 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.866 HG12 HG13 ' B' ' 116' ' ' VAL . 0.7 OUTLIER -49.43 -24.99 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.832 -178.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.87 -45.95 87.12 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.339 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -36.09 53.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.037 0.446 . . . . 0.0 109.942 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.694 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.48 -30.22 64.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.675 179.7 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 15.3 t80 -72.47 -45.8 57.84 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 23.1 m -63.06 -31.4 72.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.532 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . 0.844 ' O ' HD12 ' B' ' 96' ' ' ILE . 1.5 m -63.07 -53.27 56.33 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.305 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.712 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.6 OUTLIER -56.46 -34.87 67.28 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.195 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -59.19 -44.4 92.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.616 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.44 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 2.2 t60 -67.18 -55.5 13.86 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.844 HD12 ' O ' ' B' ' 92' ' ' SER . 4.0 mt -50.78 -34.03 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.033 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.572 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -65.57 -50.11 66.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.707 179.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -75.91 -20.25 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.07 0.462 . . . . 0.0 110.427 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -83.4 -36.7 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.922 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.758 HD12 HD11 ' B' ' 109' ' ' ILE . 54.5 mt -103.83 82.72 2.03 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.9 37.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.32 -178.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.16 17.87 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.098 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m 68.99 -68.31 0.19 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.185 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -34.68 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.951 0.405 . . . . 0.0 110.379 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.819 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.1 OUTLIER -67.82 -40.62 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.605 179.571 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -32.93 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 110.145 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.42 -41.71 72.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.693 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.785 ' CG ' HG22 ' C' ' 15' ' ' VAL . 7.8 m-20 -70.27 -43.39 70.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.819 HD12 ' O ' ' B' ' 105' ' ' SER . 4.5 mt -60.28 -49.3 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.507 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.612 ' HA ' HD12 ' B' ' 113' ' ' LEU . 21.7 m -55.71 -34.77 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.841 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.678 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -58.08 -50.99 71.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.769 178.748 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.844 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.2 mt -60.8 -40.7 93.64 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.311 0.577 . . . . 0.0 109.465 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' B' ' 110' ' ' SER . 4.0 mt -62.51 -40.52 97.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.611 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.569 ' HG3' ' N ' ' B' ' 115' ' ' LEU . 0.0 OUTLIER -63.93 -37.68 88.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.178 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.685 HD21 HG21 ' C' ' 12' ' ' VAL . 3.6 mp -70.55 -53.41 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.431 0.634 . . . . 0.0 109.36 178.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.866 HG13 HG12 ' B' ' 86' ' ' ILE . 45.0 t -58.75 -34.95 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.55 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.42 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 38.7 mt-30 -87.4 -16.3 35.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.664 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.46 148.85 18.26 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.667 0.27 . . . . 0.0 110.636 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -58.96 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.152 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -59.92 -43.95 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.755 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 10.0 t80 -57.93 -56.37 22.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.419 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -50.01 -35.93 26.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.032 0.444 . . . . 0.0 110.418 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . 0.403 ' HB3' HG12 ' D' ' 127' ' ' ILE . 4.2 m-20 -61.59 -47.8 83.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.629 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.903 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -62.52 -49.25 76.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.297 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.504 ' CD1' HD12 ' B' ' 86' ' ' ILE . 7.6 t80 -62.06 -36.54 81.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.293 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 0.1 OUTLIER -64.47 -40.45 95.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.881 0.372 . . . . 0.0 110.581 -179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 1.066 HD11 HD11 ' D' ' 127' ' ' ILE . 7.0 mt -61.07 -49.85 82.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.115 0.483 . . . . 0.0 110.634 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.776 ' O ' ' HB ' ' B' ' 132' ' ' THR . 38.8 t-80 -65.56 -40.28 92.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.199 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.892 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -55.18 -56.08 24.0 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' B' ' 129' ' ' ASN . . . -68.35 -51.72 41.28 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.703 HD12 HG22 ' B' ' 127' ' ' ILE . 66.1 mt -56.82 -42.93 78.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.318 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.776 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -58.72 -47.3 85.04 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.436 0.636 . . . . 0.0 109.341 178.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 129' ' ' ASN . 86.3 t -52.54 -50.75 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.735 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -64.31 -30.81 71.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.885 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . 0.431 ' HG3' ' HG2' ' A' ' 61' ' ' LYS . 34.3 ttm -51.49 -58.21 6.9 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.842 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 19.4 p30 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.017 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.88 0.371 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.764 ' O ' HG23 ' C' ' 12' ' ' VAL . 10.9 mt-10 -59.28 -55.37 35.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.704 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.0 OUTLIER -60.4 -39.9 89.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.376 179.52 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.7 mmt -61.34 -44.82 96.54 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.515 ' O ' HG23 ' C' ' 15' ' ' VAL . 26.6 tp60 -65.03 -36.5 84.56 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.764 HG23 ' O ' ' C' ' 8' ' ' GLU . 69.6 t -59.59 -49.87 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.543 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.668 HD13 ' HE1' ' C' ' 39' ' ' TYR . 13.7 mt -57.4 -42.15 81.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -68.05 -28.52 67.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.53 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.785 HG22 ' CG ' ' B' ' 108' ' ' ASP . 6.4 t -73.38 -38.41 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.716 179.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' C' ' 13' ' ' LEU . 28.5 mt -64.17 -40.15 95.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.832 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.79 -43.12 69.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -65.33 -54.15 33.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.78 HD12 HD11 ' B' ' 112' ' ' LEU . 60.9 mt -52.4 -57.18 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.001 0.429 . . . . 0.0 110.619 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.699 ' HB2' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -51.62 -37.77 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.039 179.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.44 -45.92 94.75 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.948 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.481 ' HB3' HD22 ' B' ' 100' ' ' LEU . 7.3 mttm -62.63 -35.59 80.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.826 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.581 HD21 HG23 ' B' ' 96' ' ' ILE . 26.9 mt -65.58 -50.13 66.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.366 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.519 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -58.61 -28.46 65.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.073 179.219 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.6 -32.54 28.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.381 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.736 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.5 OUTLIER -80.89 -31.75 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.288 -179.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.79 24.1 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.54 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -118.05 81.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.01 0.433 . . . . 0.0 110.16 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.519 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -93.69 14.96 17.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.382 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . 0.564 HG22 HE21 ' C' ' 31' ' ' GLN . 4.0 m -85.38 -44.43 12.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.309 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.683 ' HB3' HD11 ' B' ' 96' ' ' ILE . 1.5 mm-40 -78.75 -21.54 47.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.572 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . 0.408 ' ND2' ' CG ' ' C' ' 24' ' ' GLN . 22.8 m-20 -53.09 -46.13 68.52 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.0 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -56.7 -32.75 65.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.115 0.483 . . . . 0.0 110.227 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -69.44 -43.93 72.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.289 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.699 HD12 ' HB2' ' C' ' 20' ' ' ARG . 3.1 mt -61.16 -30.54 70.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.533 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -36.55 63.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 1.061 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -69.53 -50.0 49.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.337 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.745 ' CE2' HD11 ' C' ' 42' ' ' LEU . 40.7 t80 -63.48 -50.53 69.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.416 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.668 ' HE1' HD13 ' C' ' 13' ' ' LEU . 1.7 t80 -55.83 -53.44 56.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.929 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -42.37 88.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.367 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.565 HG22 ' CD2' ' C' ' 47' ' ' PHE . 93.3 m -61.68 -41.05 97.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.159 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.745 HD11 ' CE2' ' C' ' 38' ' ' PHE . 5.4 mt -62.6 -30.37 71.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.132 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -84.69 -27.84 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.579 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 74.6 m -43.74 139.52 2.79 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.597 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 38.7 Cg_exo -59.96 -55.01 1.85 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.553 2.168 . . . . 0.0 112.216 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.698 HD12 ' CG1' ' A' ' 57' ' ' ILE . 3.1 mm? -57.05 -54.97 40.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.936 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.892 ' CE1' HD21 ' C' ' 51' ' ' LEU . 10.5 t80 -50.83 -47.29 60.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.343 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.48 -40.52 71.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.751 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.53 ' HB3' HD12 ' A' ' 53' ' ' LEU . 27.6 mt-30 -65.97 -36.05 82.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.859 HG12 HD21 ' A' ' 53' ' ' LEU . 3.0 mt -62.43 -41.02 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.892 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -70.92 -37.71 72.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.32 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 10.2 m -54.35 -46.97 73.06 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.708 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -61.22 -47.81 84.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.781 178.685 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.447 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.2 OUTLIER -59.78 -32.84 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.829 178.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.7 -38.32 90.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.662 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 6.1 t -60.7 -48.19 82.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.857 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.995 HG21 HG21 ' D' ' 131' ' ' ILE . 44.4 mt -59.86 -39.3 79.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.143 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -36.97 74.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.896 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.08 -38.21 85.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.1 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.834 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.9 mt -57.25 -45.26 84.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.525 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mttt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.115 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.934 HG21 ' HA ' ' D' ' 129' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 119.884 -0.103 . . . . 0.0 111.22 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 0.821 ' CD2' HD22 ' D' ' 89' ' ' LEU . 11.2 tp 166.92 -39.65 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.71 0.29 . . . . 0.0 110.981 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 63.06 113.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.237 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.926 HG12 HG13 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -55.97 -27.25 22.56 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.692 -179.291 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.64 -47.85 81.94 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.372 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -34.59 56.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.869 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.821 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -72.08 -29.65 64.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.541 179.476 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.2 t80 -72.48 -50.05 28.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.885 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 28.8 t -61.45 -31.07 71.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.485 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 73.5 m -62.36 -53.12 59.6 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.427 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' D' ' 112' ' ' LEU . 1.1 mt -54.62 -37.93 66.2 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' D' ' 90' ' ' PHE . 2.3 mptm? -59.29 -38.7 80.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.39 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.7 t60 -69.9 -54.36 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' D' ' 93' ' ' LEU . 7.7 mt -50.88 -39.08 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.945 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.764 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -64.02 -50.73 67.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.844 179.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -4.05 53.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.38 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . 0.43 ' N ' ' O ' ' D' ' 95' ' ' HIS . 1.4 m -96.71 -35.1 11.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.43 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.891 HD12 HD11 ' D' ' 109' ' ' ILE . 83.0 mt -91.51 -60.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.48 46.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.916 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' D' ' 103' ' ' SER . 0.5 OUTLIER -94.8 -63.53 1.16 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.17 179.251 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' D' ' 102' ' ' ASP . 5.3 t 159.74 -60.39 0.0 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.671 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -71.21 -33.08 69.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.307 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.657 ' O ' HD12 ' D' ' 109' ' ' ILE . 3.0 m -72.1 -35.09 69.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.32 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.96 -42.38 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.057 0.456 . . . . 0.0 110.151 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.8 -38.64 86.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.215 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.754 ' CG ' HG22 ' A' ' 15' ' ' VAL . 84.9 m-20 -70.74 -41.17 72.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.607 0.717 . . . . 0.0 109.164 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.891 HD11 HD12 ' D' ' 100' ' ' LEU . 6.7 mt -60.29 -50.07 81.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.555 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.702 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.0 OUTLIER -58.02 -33.21 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.715 179.223 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.638 HD23 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -56.81 -51.36 69.28 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.67 178.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.85 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.4 mt -63.24 -43.99 96.47 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.411 178.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' D' ' 110' ' ' SER . 8.3 mt -55.92 -40.61 73.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.778 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.83 -52.23 65.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.613 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.476 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 0.7 OUTLIER -60.92 -50.37 73.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.352 0.596 . . . . 0.0 109.999 179.166 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.926 HG13 HG12 ' D' ' 86' ' ' ILE . 51.1 t -58.21 -37.92 65.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.69 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.443 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 43.1 mt-30 -86.17 -10.26 55.07 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.68 134.7 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.854 0.359 . . . . 0.0 110.553 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -58.6 7.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.255 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.63 -50.03 75.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 6.4 t80 -55.99 -48.12 76.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -54.78 -38.98 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.176 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.541 ' O ' HG13 ' D' ' 127' ' ' ILE . 79.5 m-20 -63.7 -51.98 62.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.609 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.96 -49.54 75.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.255 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.512 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 12.9 t80 -54.59 -40.59 68.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.744 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' D' ' 126' ' ' LYS . 0.0 OUTLIER -64.34 -33.86 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.463 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 1.066 HD11 HD11 ' B' ' 127' ' ' ILE . 56.5 mt -64.38 -49.82 79.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.112 0.482 . . . . 0.0 110.544 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.78 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.0 t-80 -67.77 -28.31 67.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.036 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.934 ' HA ' HG21 ' D' ' 83' ' ' ILE . 0.8 OUTLIER -67.43 -60.54 2.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.293 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.87 68.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.995 HG21 HG21 ' C' ' 57' ' ' ILE . 46.8 mt -55.72 -42.87 71.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.186 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.78 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.3 OUTLIER -61.07 -49.02 79.05 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.392 0.615 . . . . 0.0 109.488 178.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.871 HG23 ' O ' ' D' ' 129' ' ' ASN . 47.8 t -57.01 -45.35 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.439 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -33.44 75.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.322 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 14.3 ttm . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.538 179.719 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.781 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.1 mt-10 -64.35 -58.32 6.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.753 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -61.05 -44.72 96.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.454 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -40.21 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.563 ' NE2' HG23 ' A' ' 15' ' ' VAL . 31.5 tp60 -69.46 -34.32 74.22 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 8' ' ' GLU . 40.0 t -60.52 -55.81 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.516 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.672 ' HA ' HD12 ' A' ' 16' ' ' LEU . 16.8 mt -56.84 -40.84 76.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.013 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -28.66 67.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.318 178.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.811 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.2 t -73.67 -37.61 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.78 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 13' ' ' LEU . 28.3 mt -64.32 -41.3 96.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.802 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -71.04 -36.27 72.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.753 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -54.49 20.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.685 HD22 HD12 ' D' ' 100' ' ' LEU . 92.0 mt -53.68 -48.39 69.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.998 0.428 . . . . 0.0 109.917 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HG3' ' HB2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -49.73 -51.41 39.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.632 179.331 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.92 -46.56 55.2 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.898 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.642 ' HB3' HD22 ' D' ' 100' ' ' LEU . 1.0 OUTLIER -58.91 -31.77 68.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.661 0.267 . . . . 0.0 111.043 179.582 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.573 HD12 ' OD1' ' A' ' 32' ' ' ASN . 27.3 mt -72.99 -45.32 58.57 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.116 0.484 . . . . 0.0 110.428 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.85 -26.55 65.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.155 179.248 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.57 -33.76 27.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.698 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 2.2 mptt -83.31 -32.06 26.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.457 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.15 -18.99 11.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.732 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.474 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 9.0 m-20 -71.46 77.16 0.78 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.012 0.434 . . . . 0.0 110.192 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.18 13.34 9.7 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.923 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.4 m -83.4 -48.8 9.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.718 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.421 ' HG2' ' CD2' ' D' ' 95' ' ' HIS . 2.8 mp0 -73.47 -24.67 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.702 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.573 ' OD1' HD12 ' A' ' 23' ' ' LEU . 29.9 m-20 -51.43 -46.45 62.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.693 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -56.91 -32.6 66.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.253 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -70.56 -37.21 73.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.282 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.431 ' HB2' ' HG3' ' A' ' 20' ' ' ARG . 3.1 mt -68.61 -30.29 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.566 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -77.05 -33.14 57.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.002 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.99 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -73.0 -44.75 60.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.383 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CE2' ' CD1' ' A' ' 42' ' ' LEU . 41.9 t80 -68.31 -51.53 43.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.383 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.523 ' CA ' HD13 ' A' ' 16' ' ' LEU . 3.3 t80 -54.06 -51.95 62.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.562 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.54 -51.78 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 111.078 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.975 HG22 ' CD2' ' A' ' 47' ' ' PHE . 89.5 m -54.17 -49.12 70.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.509 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.66 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -54.02 -35.45 61.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.529 179.328 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.505 ' HG3' HD13 ' A' ' 13' ' ' LEU . 18.6 mtpt -79.6 -33.74 41.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.62 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.7 p -47.12 140.89 6.39 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.223 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.85 -38.03 5.89 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.522 2.148 . . . . 0.0 112.193 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.744 HD11 HD13 ' C' ' 57' ' ' ILE . 0.4 OUTLIER -62.05 -55.32 30.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.199 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.975 ' CD2' HG22 ' A' ' 41' ' ' THR . 11.0 t80 -59.21 -42.73 91.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.218 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -56.09 -39.37 72.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.382 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -42.83 99.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.197 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.918 HG12 HD21 ' C' ' 53' ' ' LEU . 10.3 mt -58.46 -49.26 82.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.938 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.737 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -66.06 -34.55 78.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.157 179.714 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -53.46 -49.68 66.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.822 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.661 HD21 HG12 ' C' ' 50' ' ' ILE . 0.5 OUTLIER -61.29 -44.98 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.485 178.627 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.581 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -59.48 -32.91 70.69 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.921 179.04 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -37.97 87.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.009 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -48.99 79.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.905 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 1.067 HG21 HG21 ' B' ' 131' ' ' ILE . 70.3 mt -60.55 -35.75 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.926 178.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -36.29 76.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.716 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.33 -37.11 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.098 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.812 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.3 mt -56.54 -47.5 79.28 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.636 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.533 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 5.4 mttt -64.3 -58.86 5.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.984 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.774 -179.693 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.838 ' CD1' HG22 ' B' ' 133' ' ' VAL . 1.3 mt -63.99 -146.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.171 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.825 HD21 HD22 ' B' ' 89' ' ' LEU . 7.6 tp -179.82 -36.36 0.01 OUTLIER 'General case' 0 C--O 1.231 0.096 0 O-C-N 122.241 -0.287 . . . . 0.0 111.276 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 56.73 105.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.311 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.906 HG12 HG13 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -50.02 -24.98 2.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.04 -40.87 91.33 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.928 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . 0.437 ' HB3' ' HE2' ' C' ' 34' ' ' LYS . 1.0 OUTLIER -80.86 -37.66 29.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.584 178.516 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.825 HD22 HD21 ' B' ' 84' ' ' LEU . 0.1 OUTLIER -69.53 -32.52 71.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.431 179.382 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 9.3 t80 -72.67 -50.03 27.66 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.901 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.1 m -62.12 -30.42 71.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . 0.416 ' HA ' ' OE1' ' C' ' 31' ' ' GLN . 0.4 OUTLIER -62.02 -53.02 61.44 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.372 179.283 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.73 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -56.07 -37.15 68.93 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 70.5 mmtt -59.89 -37.76 80.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.856 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.527 ' CE1' ' HG1' ' B' ' 99' ' ' THR . 1.2 t60 -72.32 -49.9 30.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' B' ' 93' ' ' LEU . 9.2 mt -53.62 -43.32 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.454 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.856 ' HB3' HG21 ' B' ' 109' ' ' ILE . 10.8 pt20 -64.56 -41.19 96.47 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.468 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.413 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 29.8 t-80 -86.38 -0.7 56.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . 0.527 ' HG1' ' CE1' ' B' ' 95' ' ' HIS . 1.2 m -102.28 -35.82 8.71 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.432 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.845 HD12 HD11 ' B' ' 109' ' ' ILE . 75.4 mt -88.39 -53.91 4.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.477 . . . . 0.0 109.831 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.57 43.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.008 178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' B' ' 103' ' ' SER . 4.6 m-20 -95.3 -63.76 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.055 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 102' ' ' ASP . 1.2 m 159.26 -58.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.964 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -29.94 66.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.557 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.657 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.2 OUTLIER -72.26 -38.24 68.89 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.577 179.251 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -42.52 93.87 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.07 0.462 . . . . 0.0 110.517 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -38.55 85.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.146 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.745 ' HB3' HG13 ' C' ' 15' ' ' VAL . 0.5 OUTLIER -70.72 -41.19 72.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.683 0.754 . . . . 0.0 109.13 178.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.856 HG21 ' HB3' ' B' ' 97' ' ' GLN . 8.3 mt -61.63 -49.9 82.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.567 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.712 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.8 t -56.16 -37.07 69.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.008 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.492 HD23 HG22 ' C' ' 12' ' ' VAL . 0.4 OUTLIER -56.58 -51.22 69.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.881 178.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.891 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.2 mt -62.69 -44.03 97.28 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' B' ' 110' ' ' SER . 9.0 mt -54.74 -41.69 70.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.835 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.66 -51.98 66.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.973 0.416 . . . . 0.0 110.576 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.542 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.6 mp -59.57 -47.53 85.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.259 0.552 . . . . 0.0 110.224 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.906 HG13 HG12 ' B' ' 86' ' ' ILE . 48.5 t -58.91 -39.84 78.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.696 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.443 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 52.1 mt-30 -82.55 -13.16 57.07 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 130.67 48.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.645 0.26 . . . . 0.0 110.534 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . 0.847 ' NZ ' ' HB1' ' D' ' 130' ' ' ALA . 0.0 OUTLIER -56.54 -59.27 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 111.54 -179.362 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -48.07 80.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.806 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.4 t80 -55.72 -49.42 73.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.687 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -39.58 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . 0.467 ' HB3' HG12 ' D' ' 127' ' ' ILE . 2.5 m-20 -65.33 -43.17 91.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.071 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.957 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -62.34 -49.49 75.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.076 0.465 . . . . 0.0 110.971 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.685 ' CD1' HD12 ' B' ' 86' ' ' ILE . 11.2 t80 -61.6 -34.93 76.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.604 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 0.0 OUTLIER -63.9 -38.15 90.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.255 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 1.034 HD11 HD11 ' D' ' 127' ' ' ILE . 9.2 mt -62.12 -49.79 82.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.117 0.484 . . . . 0.0 110.331 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.622 ' O ' ' HB ' ' B' ' 132' ' ' THR . 17.4 t-80 -65.38 -28.03 68.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.176 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.862 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.6 OUTLIER -66.57 -61.19 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.17 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.81 -50.61 64.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.652 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 1.067 HG21 HG21 ' A' ' 57' ' ' ILE . 54.9 mt -53.62 -42.63 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.519 0.199 . . . . 0.0 110.811 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.622 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.7 OUTLIER -57.86 -49.83 75.38 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.488 0.661 . . . . 0.0 109.389 178.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.862 HG23 ' O ' ' B' ' 129' ' ' ASN . 24.5 t -53.79 -46.08 62.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.27 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.309 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -60.38 3.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.982 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.886 0.374 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.79 ' O ' HG23 ' C' ' 12' ' ' VAL . 23.7 mt-10 -66.12 -56.87 9.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -43.1 93.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 5.8 mmt -61.71 -53.24 58.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.928 ' O ' HG23 ' C' ' 15' ' ' VAL . 30.4 tp60 -57.69 -39.13 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.686 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.79 HG23 ' O ' ' C' ' 8' ' ' GLU . 24.8 t -54.78 -54.01 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.59 ' HA ' HD12 ' C' ' 16' ' ' LEU . 11.6 mt -53.66 -42.5 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.013 0.435 . . . . 0.0 110.146 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -28.09 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.859 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.928 HG23 ' O ' ' C' ' 11' ' ' GLN . 80.1 t -73.22 -39.37 56.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.051 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.596 HD13 ' CA ' ' C' ' 39' ' ' TYR . 16.9 mt -64.75 -43.2 94.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.102 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.67 -43.04 81.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -64.66 -54.13 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.6 HD12 HD11 ' B' ' 112' ' ' LEU . 29.2 mt -54.67 -57.65 10.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.963 0.411 . . . . 0.0 110.692 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.753 ' HB3' HD12 ' C' ' 35' ' ' LEU . 1.9 ppt_? -54.81 -30.1 56.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.864 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.67 -46.89 71.92 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.72 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.618 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.7 mtpp -59.6 -35.63 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.71 0.29 . . . . 0.0 110.465 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.622 HD23 HD21 ' B' ' 100' ' ' LEU . 20.2 mt -66.28 -47.18 74.48 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.057 0.456 . . . . 0.0 110.253 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.436 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -57.75 -28.44 63.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.949 178.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -82.1 -30.85 30.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.693 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.594 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.6 OUTLIER -83.83 -33.15 24.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.318 -179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.39 11.89 5.92 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.804 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -104.65 81.86 1.83 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.976 0.417 . . . . 0.0 110.003 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.436 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -92.52 19.52 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.037 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 55.3 m -91.13 -39.75 11.97 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.669 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.603 ' HB2' HD13 ' C' ' 23' ' ' LEU . 1.2 mm-40 -83.26 -24.22 32.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . 0.426 ' ND2' ' CG ' ' C' ' 24' ' ' GLN . 99.4 m-20 -51.68 -39.82 58.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.369 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.12 -41.02 95.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' C' ' 31' ' ' GLN . 2.8 mptt -59.49 -54.9 41.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.084 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.753 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.3 mt -57.85 -39.77 78.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -73.44 -29.95 62.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.127 0.489 . . . . 0.0 109.941 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.702 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.03 -46.48 56.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.666 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.894 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 9.0 t80 -71.05 -43.6 67.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.285 0.564 . . . . 0.0 110.002 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.596 ' CA ' HD13 ' C' ' 16' ' ' LEU . 22.4 t80 -55.4 -53.47 55.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.426 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 0.2 OUTLIER -59.33 -50.41 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.621 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.769 HG22 ' CD2' ' C' ' 47' ' ' PHE . 86.9 m -56.26 -40.56 74.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.894 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 3.8 mt -59.84 -35.42 74.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.146 0.498 . . . . 0.0 110.278 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.464 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 1.0 OUTLIER -70.91 -31.1 67.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.703 179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.23 124.05 5.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.361 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.9 -50.31 7.96 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.428 2.085 . . . . 0.0 112.092 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.757 HD11 HD11 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.91 -52.79 64.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.336 179.74 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.769 ' CD2' HG22 ' C' ' 41' ' ' THR . 15.4 t80 -56.18 -38.49 71.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -57.95 -41.68 83.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.25 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.42 ' HB3' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -63.08 -36.44 83.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.995 179.039 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.728 HD12 ' HD1' ' C' ' 47' ' ' PHE . 12.7 mt -58.74 -48.99 84.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.724 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.571 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.5 OUTLIER -66.16 -42.16 89.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.345 179.707 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 10.0 m -55.85 -41.56 74.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.187 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.918 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -61.47 -49.98 74.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.071 179.231 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.551 ' OE1' HD23 ' C' ' 53' ' ' LEU . 0.0 OUTLIER -60.04 -34.98 74.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.352 179.443 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -61.26 -40.32 93.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.085 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 7.7 t -61.85 -45.89 91.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.86 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.755 ' CG2' HG21 ' D' ' 131' ' ' ILE . 5.3 mt -59.99 -36.86 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.212 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -39.95 91.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.94 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.28 -38.74 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.252 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -57.83 -47.59 82.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.47 179.43 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . 0.469 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 13.2 mtmt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.735 HD12 HG22 ' D' ' 132' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.808 0.337 . . . . 0.0 110.769 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 0.99 HD13 ' HB3' ' A' ' 37' ' ' ALA . 16.2 tp -152.09 -37.86 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.3 OUTLIER 53.65 109.7 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.951 -179.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.975 HG12 HG13 ' D' ' 116' ' ' VAL . 1.0 OUTLIER -49.93 -27.18 3.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.409 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.05 -43.95 93.95 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.233 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -34.55 41.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.738 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.841 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.17 -30.07 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.254 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.558 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 26.4 t80 -72.46 -50.44 26.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.866 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 38.7 m -61.96 -29.44 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.555 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m -63.52 -52.86 59.39 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.456 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.746 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.7 OUTLIER -57.02 -36.78 70.85 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.519 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -59.56 -39.52 84.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.455 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.2 t60 -69.45 -52.77 23.56 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' D' ' 93' ' ' LEU . 11.7 mt -51.5 -41.29 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.97 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.892 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -61.57 -52.12 65.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.064 179.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.09 -5.19 55.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 0.0 110.312 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.9 m -94.43 -33.06 13.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.394 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.685 HD12 HD22 ' A' ' 19' ' ' LEU . 18.2 mt -90.61 -51.82 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.348 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.61 35.7 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.726 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . 0.405 ' HB2' ' HB2' ' D' ' 105' ' ' SER . 0.7 OUTLIER -98.74 22.07 10.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.646 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.0 -71.65 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -59.15 -33.07 70.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.14 0.495 . . . . 0.0 110.025 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.818 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.5 OUTLIER -68.89 -39.8 79.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.347 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -35.67 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.145 0.498 . . . . 0.0 110.288 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -41.48 77.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.678 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.72 ' CG ' HG22 ' A' ' 15' ' ' VAL . 42.7 m-20 -70.43 -43.0 70.82 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.892 HD13 ' HA ' ' D' ' 97' ' ' GLN . 5.2 mt -59.8 -49.2 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.623 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.631 ' HA ' HD12 ' D' ' 113' ' ' LEU . 8.3 t -55.83 -36.94 68.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.08 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.734 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.86 -51.47 68.92 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.29 179.043 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.877 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.8 mt -60.82 -43.18 98.55 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' D' ' 110' ' ' SER . 4.0 mt -56.47 -48.5 76.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.58 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . 0.424 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 33.2 mt-30 -60.86 -45.97 92.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.074 0.464 . . . . 0.0 110.458 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.735 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.1 mp -58.59 -38.51 78.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.958 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.975 HG13 HG12 ' D' ' 86' ' ' ILE . 76.2 t -69.34 -53.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.744 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.1 OUTLIER -62.95 -17.75 62.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.917 -179.134 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . 0.416 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 1.1 m-20 -51.27 134.57 27.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.675 0.274 . . . . 0.0 110.638 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -61.51 -59.03 5.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.496 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.1 -50.02 74.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.374 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.448 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 10.3 t80 -56.71 -46.78 81.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.603 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.55 -40.77 65.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.524 ' HB3' HG12 ' B' ' 127' ' ' ILE . 6.1 m-80 -68.03 -48.23 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.859 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.901 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -57.16 -49.09 77.04 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.192 0.52 . . . . 0.0 110.823 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.577 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 14.1 t80 -59.36 -38.79 81.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.99 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -62.08 -37.92 86.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.711 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 1.034 HD11 HD11 ' B' ' 127' ' ' ILE . 12.2 mt -62.84 -49.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.679 ' O ' ' HB ' ' D' ' 132' ' ' THR . 7.3 t-80 -66.88 -38.19 85.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.052 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.909 ' O ' HG23 ' D' ' 133' ' ' VAL . 0.3 OUTLIER -64.54 -60.38 3.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.034 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . 0.847 ' HB1' ' NZ ' ' B' ' 119' ' ' LYS . . . -62.54 -52.56 62.97 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.755 HG21 ' CG2' ' C' ' 57' ' ' ILE . 57.4 mt -55.12 -35.91 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.75 0.31 . . . . 0.0 110.799 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.735 HG22 HD12 ' D' ' 83' ' ' ILE . 0.6 OUTLIER -64.71 -47.91 76.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.472 0.653 . . . . 0.0 109.404 178.437 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.909 HG23 ' O ' ' D' ' 129' ' ' ASN . 21.6 t -52.57 -51.33 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.96 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -63.71 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.277 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.1 ttm . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.059 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.796 0.332 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.813 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.8 mt-10 -64.33 -55.03 23.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -59.5 -42.52 92.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.491 179.713 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.2 mmt -61.54 -47.5 85.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.822 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.513 ' O ' HG23 ' A' ' 15' ' ' VAL . 31.3 tp60 -64.83 -34.35 78.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.652 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 8' ' ' GLU . 41.3 t -59.64 -55.61 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.594 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.786 ' HA ' HD12 ' A' ' 16' ' ' LEU . 14.0 mt -54.77 -43.27 72.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.027 0.441 . . . . 0.0 110.134 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -28.58 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.847 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.826 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.7 t -72.04 -39.03 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.841 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 13' ' ' LEU . 9.6 mt -64.14 -41.39 97.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.65 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -66.51 -39.68 88.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.844 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -54.23 17.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.684 HD12 HD11 ' D' ' 112' ' ' LEU . 59.9 mt -54.35 -55.39 28.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.894 0.378 . . . . 0.0 110.435 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.798 ' CA ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.04 -38.8 62.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.908 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.97 -41.98 98.11 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.053 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HB3' HD22 ' D' ' 100' ' ' LEU . 14.2 mmtp -64.43 -40.85 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 110.995 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.718 HD21 HG23 ' D' ' 96' ' ' ILE . 19.5 mt -61.65 -50.49 72.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.962 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.8 -27.88 69.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.304 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.57 -32.46 28.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.497 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HE2' ' HA ' ' D' ' 100' ' ' LEU . 0.2 OUTLIER -82.01 -34.42 29.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.273 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.24 -17.19 5.65 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.527 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.37 80.09 1.02 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.928 0.394 . . . . 0.0 110.061 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.652 HG22 HD21 ' A' ' 32' ' ' ASN . 0.2 OUTLIER -90.15 22.47 3.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.736 179.342 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.46 HG22 ' NE2' ' A' ' 31' ' ' GLN . 53.7 m -102.38 -51.06 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.522 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.46 ' NE2' HG22 ' A' ' 30' ' ' THR . 0.9 OUTLIER -70.52 -21.41 62.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.58 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.652 HD21 HG22 ' A' ' 29' ' ' THR . 36.5 p-10 -54.57 -42.8 71.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.756 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -32.77 66.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.175 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -72.75 -42.17 64.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.161 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.798 HD12 ' CA ' ' A' ' 20' ' ' ARG . 1.4 mt -66.05 -36.32 82.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.243 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.68 -32.18 60.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.743 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.108 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.83 -44.22 66.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.327 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.64 ' CD2' HD21 ' A' ' 16' ' ' LEU . 2.6 t80 -70.31 -47.36 61.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.401 0.62 . . . . 0.0 109.893 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.718 ' HA ' HD13 ' A' ' 16' ' ' LEU . 24.0 t80 -53.72 -53.32 53.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.092 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -60.56 -52.06 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.756 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.481 HG22 ' CD2' ' A' ' 47' ' ' PHE . 86.0 m -54.54 -41.09 69.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.011 0.434 . . . . 0.0 110.427 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.706 HD22 HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -59.32 -37.38 77.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.188 179.442 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HE2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -70.12 -28.82 65.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.648 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.0 t -45.65 130.32 6.57 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.289 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.83 -51.39 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.356 2.037 . . . . 0.0 112.45 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.908 HD13 HG12 ' C' ' 57' ' ' ILE . 0.2 OUTLIER -58.55 -39.43 80.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.69 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.645 ' CE1' HD21 ' A' ' 51' ' ' LEU . 12.1 t80 -62.49 -43.81 97.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.965 0.412 . . . . 0.0 109.943 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.88 -39.02 70.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.025 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HB3' HD12 ' C' ' 53' ' ' LEU . 2.9 mt-30 -60.79 -42.86 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.038 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.881 HG12 HD21 ' C' ' 53' ' ' LEU . 2.7 mt -58.82 -51.56 70.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.71 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -64.17 -36.31 83.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.174 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.7 m -61.63 -40.76 96.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.318 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.8 HD21 HG12 ' C' ' 50' ' ' ILE . 1.0 OUTLIER -62.19 -51.79 66.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.524 179.682 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.603 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 3.9 pt20 -59.96 -32.04 70.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.055 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -61.62 -41.75 97.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.644 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.2 t -60.89 -42.54 98.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.361 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.785 ' HA ' HD12 ' A' ' 60' ' ' LEU . 3.7 mt -61.42 -35.12 64.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.829 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -60.69 -40.21 91.32 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.554 178.687 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -38.77 92.33 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.136 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -56.3 -47.78 78.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.596 179.395 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.588 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 1.6 mppt? -68.74 -28.32 66.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.994 -179.762 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.771 0.319 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.904 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -92.75 -171.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.083 0.468 . . . . 0.0 110.996 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.787 HD13 ' HB3' ' C' ' 37' ' ' ALA . 22.9 tp -134.82 -37.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.234 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.63 108.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.555 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.965 HG12 HG13 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -51.29 -27.24 6.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.336 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.02 -42.83 94.04 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.101 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -34.67 39.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.759 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.827 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.16 -30.98 65.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.203 179.237 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.576 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 33.3 t80 -72.05 -49.86 33.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.739 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 31.0 t -61.73 -29.3 70.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.505 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . 0.404 ' C ' HD12 ' B' ' 96' ' ' ILE . 14.0 t -63.57 -53.1 57.04 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.393 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.773 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.7 OUTLIER -56.89 -36.78 70.53 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.983 0.42 . . . . 0.0 109.889 179.588 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -59.76 -41.37 90.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.8 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.471 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.4 t60 -69.48 -52.71 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.797 HG23 HD21 ' C' ' 23' ' ' LEU . 10.6 mt -51.42 -40.46 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.889 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.851 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -62.45 -50.36 71.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.908 179.724 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -81.94 -1.46 48.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.991 0.424 . . . . 0.0 110.583 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . 0.404 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.4 m -100.3 -33.5 10.37 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.957 HD12 HD11 ' B' ' 109' ' ' ILE . 70.8 mt -90.24 -52.3 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.27 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.81 35.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.712 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.46 21.01 9.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.932 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.75 -70.79 0.1 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.711 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -32.53 72.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 0.0 109.865 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.791 ' O ' HD12 ' B' ' 109' ' ' ILE . 2.9 m -70.25 -38.71 75.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.502 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.44 -34.44 78.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.116 0.484 . . . . 0.0 110.334 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.49 -39.96 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.765 ' HB3' HG13 ' C' ' 15' ' ' VAL . 20.7 m-20 -70.4 -43.76 69.36 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.742 0.782 . . . . 0.0 108.9 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.957 HD11 HD12 ' B' ' 100' ' ' LEU . 5.5 mt -60.05 -49.36 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.643 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.648 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.2 m -56.37 -36.77 69.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.165 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.755 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -57.37 -51.42 69.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.245 179.136 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.866 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.1 mt -61.24 -42.54 98.79 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' B' ' 110' ' ' SER . 5.4 mt -56.57 -48.63 76.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.501 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.404 ' HA ' ' CG ' ' B' ' 117' ' ' GLN . 33.3 mt-30 -60.76 -46.39 90.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.567 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.764 ' CD2' HG21 ' C' ' 12' ' ' VAL . 5.6 mp -57.65 -42.3 83.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.412 0.625 . . . . 0.0 109.719 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.965 HG13 HG12 ' B' ' 86' ' ' ILE . 63.4 t -64.76 -53.54 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.903 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 113' ' ' LEU . 0.0 OUTLIER -63.61 -18.45 63.92 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.093 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.412 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 1.4 m-20 -53.13 146.02 12.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.612 0.244 . . . . 0.0 110.742 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.22 -59.4 2.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.56 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -45.67 90.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.773 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.482 ' CG ' ' O ' ' B' ' 115' ' ' LEU . 10.0 t80 -55.87 -55.28 34.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.546 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.92 -39.34 39.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.677 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.46 -47.25 86.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.722 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.885 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.11 -41.26 83.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.596 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 3.7 t80 -68.2 -38.84 82.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.224 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -33.48 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.646 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 1.031 HD11 HD11 ' D' ' 127' ' ' ILE . 5.6 mt -71.78 -49.94 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.748 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.64 ' O ' ' HB ' ' B' ' 132' ' ' THR . 13.8 t-80 -64.27 -49.94 69.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.564 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.97 ' O ' HG23 ' B' ' 133' ' ' VAL . 50.2 t-20 -55.6 -59.96 4.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.945 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -52.12 67.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.648 0.261 . . . . 0.0 111.689 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.707 HD12 HG22 ' B' ' 127' ' ' ILE . 72.4 mt -58.62 -43.1 86.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.286 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.904 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.5 OUTLIER -60.77 -44.09 97.2 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.293 0.568 . . . . 0.0 109.657 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.97 HG23 ' O ' ' B' ' 129' ' ' ASN . 86.1 t -52.91 -51.17 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.124 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.81 -30.65 71.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.027 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . 0.414 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 31.1 ttm -54.07 -52.39 61.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 10.9 p30 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.804 0.335 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.861 ' O ' HG23 ' C' ' 12' ' ' VAL . 5.8 mm-40 -68.08 -51.19 49.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.4 OUTLIER -53.99 -41.44 67.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.736 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.2 tpt -61.19 -51.32 69.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.43 ' O ' HG23 ' C' ' 15' ' ' VAL . 21.4 tp60 -59.9 -36.37 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.462 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.861 HG23 ' O ' ' C' ' 8' ' ' GLU . 84.4 t -57.85 -48.97 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.908 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.927 ' HA ' HD12 ' C' ' 16' ' ' LEU . 16.8 mt -57.74 -48.75 78.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.029 0.442 . . . . 0.0 110.194 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.64 -28.33 69.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.641 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.765 HG13 ' HB3' ' B' ' 108' ' ' ASP . 2.5 t -72.9 -37.87 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.067 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.927 HD12 ' HA ' ' C' ' 13' ' ' LEU . 5.8 mt -64.23 -42.85 96.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.163 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.05 -37.49 75.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.549 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -68.29 -50.01 56.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.695 HD12 HD11 ' B' ' 112' ' ' LEU . 55.7 mt -56.72 -57.76 11.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.095 0.474 . . . . 0.0 110.759 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.803 ' HB3' HD12 ' C' ' 35' ' ' LEU . 4.0 ppt_? -54.93 -33.55 62.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.806 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' C' ' 20' ' ' ARG . . . -63.57 -45.74 93.97 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.333 -0.937 . . . . 0.0 111.796 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.627 ' HB3' HD22 ' B' ' 100' ' ' LEU . 4.0 mttm -61.77 -36.39 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.679 0.276 . . . . 0.0 110.726 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.797 HD21 HG23 ' B' ' 96' ' ' ILE . 11.0 mt -67.28 -50.18 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 110.482 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.47 -29.11 58.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.115 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -82.1 -31.41 30.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.416 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -80.72 -33.12 35.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.46 2.65 8.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.671 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . 0.575 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 6.2 m-20 -108.26 70.83 0.77 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.941 0.401 . . . . 0.0 110.367 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -89.74 11.71 19.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.126 0.489 . . . . 0.0 110.388 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 16.5 m -73.14 -33.56 65.58 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.969 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.471 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 1.2 mm-40 -83.3 -23.24 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.462 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.07 -48.82 22.38 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.491 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.78 -32.76 65.98 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.788 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -72.82 -47.47 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.718 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.803 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.8 mt -60.68 -29.99 69.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.255 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -77.05 -38.54 52.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.767 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.787 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -67.24 -42.51 83.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.925 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.473 ' HD2' HD21 ' C' ' 16' ' ' LEU . 2.4 t80 -70.85 -42.12 70.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.178 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.799 ' HA ' HD13 ' C' ' 16' ' ' LEU . 15.8 t80 -65.5 -51.81 57.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.292 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.77 -45.02 86.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.131 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.96 HG22 ' CD2' ' C' ' 47' ' ' PHE . 85.2 m -57.99 -47.62 82.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.759 0.314 . . . . 0.0 110.676 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.663 ' HB3' HD21 ' C' ' 13' ' ' LEU . 6.1 mt -58.33 -32.95 68.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.08 0.467 . . . . 0.0 110.485 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.686 ' HG3' HD13 ' C' ' 13' ' ' LEU . 12.3 mtpt -79.5 -35.6 39.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.563 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -45.67 139.52 4.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.308 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.55 -41.34 8.75 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.453 2.102 . . . . 0.0 112.087 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.726 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -60.75 -55.17 36.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.102 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.96 ' CD2' HG22 ' C' ' 41' ' ' THR . 10.2 t80 -58.57 -42.83 88.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.19 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -55.83 -38.32 69.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.434 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.18 -41.89 99.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.123 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.8 HG12 HD21 ' A' ' 53' ' ' LEU . 5.0 mt -60.22 -48.73 86.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.874 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.635 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -61.27 -36.58 80.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.315 179.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 30.5 m -59.59 -42.58 92.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.428 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.881 HD21 HG12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -60.45 -51.9 67.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.399 179.598 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.725 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 3.5 pt20 -62.13 -31.0 71.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -59.65 -40.92 89.3 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -47.56 82.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.503 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.944 HG21 HG21 ' D' ' 131' ' ' ILE . 34.5 mt -60.47 -34.89 59.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.9 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -59.84 -41.76 92.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.859 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -40.92 97.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.983 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.2 mt -55.58 -45.9 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.414 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.816 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.6 OUTLIER . . . . . 0 CA--C 1.52 -0.204 0 CA-C-O 120.943 0.401 . . . . 0.0 110.623 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 1.108 HD13 ' HB3' ' A' ' 37' ' ' ALA . 58.9 tp -117.59 -38.37 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.327 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.96 102.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.109 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.89 HG12 HG13 ' D' ' 116' ' ' VAL . 0.6 OUTLIER -49.52 -25.87 2.11 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.523 -179.155 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.05 -46.3 88.17 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.337 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.43 -34.96 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.046 0.45 . . . . 0.0 109.853 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.716 ' O ' HD12 ' D' ' 89' ' ' LEU . 0.1 OUTLIER -72.12 -29.25 63.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.27 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.548 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 9.1 t80 -72.38 -50.27 27.84 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.122 0.487 . . . . 0.0 109.745 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 68.4 m -62.95 -28.06 69.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.431 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . 0.415 ' OG ' HD11 ' D' ' 96' ' ' ILE . 4.1 t -64.03 -52.97 56.95 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.386 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.765 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.8 OUTLIER -56.87 -37.62 71.59 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -59.43 -40.55 87.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.692 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . 0.419 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 1.5 t60 -69.68 -53.28 19.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.718 HG23 HD21 ' A' ' 23' ' ' LEU . 10.3 mt -51.87 -38.48 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.885 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.921 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.52 -51.53 67.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.935 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -81.63 -2.95 52.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.446 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . 0.427 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.9 m -99.09 -32.21 11.37 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.443 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.681 HD12 HD22 ' A' ' 19' ' ' LEU . 15.5 mt -89.95 -53.78 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.241 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.6 35.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.665 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' D' ' 104' ' ' GLN . 7.3 m-20 -96.99 23.51 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.722 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 31.8 t 65.97 -71.47 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.783 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' D' ' 102' ' ' ASP . 2.9 mm100 -60.63 -30.77 70.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.144 0.497 . . . . 0.0 109.91 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.82 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.5 OUTLIER -70.73 -39.87 73.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.554 179.529 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.82 -38.33 90.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.003 0.43 . . . . 0.0 110.519 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.69 -39.8 80.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.796 ' CG ' HG22 ' A' ' 15' ' ' VAL . 28.8 m-20 -70.49 -42.95 70.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.921 HD13 ' HA ' ' D' ' 97' ' ' GLN . 4.7 mt -59.95 -49.63 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.645 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.629 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.0 OUTLIER -57.24 -35.16 69.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.082 179.439 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.62 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.76 -51.35 69.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.032 178.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.838 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.3 mt -63.21 -42.67 99.32 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' D' ' 110' ' ' SER . 6.0 mt -56.15 -42.33 76.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.621 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -62.25 -52.21 64.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.785 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.9 mp -58.98 -48.71 80.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.246 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.89 HG13 HG12 ' D' ' 86' ' ' ILE . 62.7 t -57.12 -41.42 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.531 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.452 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 55.3 mt-30 -82.93 -11.04 58.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.5 128.38 36.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.735 0.303 . . . . 0.0 110.482 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -52.31 -58.99 4.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.499 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.71 -50.32 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 111.055 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.6 t80 -55.81 -52.77 62.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -54.65 -31.25 57.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.066 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.611 ' O ' HG13 ' D' ' 127' ' ' ILE . 22.5 m120 -67.55 -52.43 38.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.603 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -58.19 -49.24 77.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.643 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 4.6 t80 -56.18 -40.41 73.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -34.19 76.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.207 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 1.031 HD11 HD11 ' B' ' 127' ' ' ILE . 5.7 mt -63.21 -49.61 82.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.438 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.838 ' O ' ' HB ' ' D' ' 132' ' ' THR . 38.1 t-80 -65.36 -41.25 94.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.015 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.946 ' O ' HG23 ' D' ' 133' ' ' VAL . 27.2 m-20 -55.05 -60.73 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.21 -51.91 58.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.539 0.209 . . . . 0.0 111.506 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.944 HG21 HG21 ' C' ' 57' ' ' ILE . 69.5 mt -56.19 -40.12 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.16 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.838 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -61.46 -43.1 99.46 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.837 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.946 HG23 ' O ' ' D' ' 129' ' ' ASN . 47.0 t -52.88 -47.72 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.463 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -63.1 -32.87 74.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.034 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.603 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.851 0.358 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.9 mt-10 -61.21 -57.07 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.721 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -61.49 -42.86 99.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.544 179.675 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -41.52 97.51 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.558 ' NE2' HG23 ' A' ' 15' ' ' VAL . 31.0 tp60 -67.21 -35.67 80.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.748 HG22 HD23 ' D' ' 111' ' ' LEU . 24.5 t -60.17 -47.89 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.438 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.759 ' HA ' HD12 ' A' ' 16' ' ' LEU . 13.5 mt -62.69 -44.63 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.444 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -63.71 -29.4 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.239 178.142 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.783 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.4 t -71.64 -35.81 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.293 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 13' ' ' LEU . 27.0 mt -64.13 -40.43 96.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.056 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.444 ' OD2' ' HA ' ' A' ' 14' ' ' GLN . 5.7 p30 -76.29 -28.05 56.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.43 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -73.84 -54.66 7.49 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.987 0.422 . . . . 0.0 110.418 179.634 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.532 HD12 HD11 ' D' ' 112' ' ' LEU . 89.5 mt -56.59 -49.27 75.4 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.672 ' HB2' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -51.02 -48.33 61.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.836 179.272 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.29 -44.94 65.31 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.876 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.773 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.3 OUTLIER -63.38 -36.3 83.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.511 0.196 . . . . 0.0 111.173 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.802 HD23 HD21 ' D' ' 100' ' ' LEU . 31.4 mt -65.66 -50.5 64.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.014 0.435 . . . . 0.0 110.581 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -60.05 -26.88 66.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.22 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.59 -32.9 28.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.64 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -32.14 30.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.398 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.82 19.24 5.34 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 120.571 -0.824 . . . . 0.0 112.627 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -110.07 77.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.019 0.438 . . . . 0.0 109.953 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.25 9.03 30.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.307 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.422 HG22 ' NE2' ' A' ' 31' ' ' GLN . 57.3 m -82.51 -54.72 4.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.31 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.423 ' HG2' ' CD2' ' D' ' 95' ' ' HIS . 1.2 mp0 -63.81 -18.93 64.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.034 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -46.66 -46.49 19.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.73 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.55 -36.0 68.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.146 0.498 . . . . 0.0 109.721 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HD3' ' HB2' ' D' ' 92' ' ' SER . 0.4 OUTLIER -61.25 -44.38 97.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.688 178.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.672 HD12 ' HB2' ' A' ' 20' ' ' ARG . 2.5 mt -70.78 -34.81 72.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.733 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -72.13 -34.96 68.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.124 0.487 . . . . 0.0 109.937 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.008 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -74.98 -40.76 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.219 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.717 ' HD2' HD21 ' A' ' 16' ' ' LEU . 2.4 t80 -70.54 -51.09 31.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.357 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.601 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -54.91 -51.1 67.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.286 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.54 -52.31 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.238 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.892 HG22 ' CD2' ' A' ' 47' ' ' PHE . 95.1 m -59.05 -48.53 81.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.52 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.576 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.66 -34.21 61.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.893 179.484 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.428 ' HG3' HD13 ' A' ' 13' ' ' LEU . 12.3 mtpt -77.78 -34.81 52.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.611 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.07 134.46 6.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.327 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.72 -40.4 9.99 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.492 2.128 . . . . 0.0 112.203 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.714 HD11 HD13 ' C' ' 57' ' ' ILE . 0.5 OUTLIER -59.61 -55.04 39.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.352 179.701 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.892 ' CD2' HG22 ' A' ' 41' ' ' THR . 12.3 t80 -58.09 -40.58 81.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.389 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -57.6 -41.16 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.495 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.19 -42.44 98.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.267 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.889 HG12 HD21 ' C' ' 53' ' ' LEU . 22.3 mt -56.78 -46.09 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.868 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.03 -36.19 83.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.235 179.679 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.8 m -53.92 -50.82 65.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.988 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.885 HD21 HG12 ' C' ' 50' ' ' ILE . 1.0 OUTLIER -59.4 -44.87 92.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.788 178.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.593 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.1 OUTLIER -59.95 -34.29 73.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.169 179.169 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -40.54 97.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.097 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 t -60.71 -45.84 92.68 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.673 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.93 HG21 HG21 ' B' ' 131' ' ' ILE . 5.7 mt -62.09 -34.78 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.887 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -42.82 84.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.78 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.58 -39.63 94.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.251 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.5 mt -53.01 -47.26 68.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.662 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -63.06 -49.93 72.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.853 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.592 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.884 HG23 HG21 ' B' ' 132' ' ' THR . 0.0 OUTLIER -109.17 -103.21 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 119.601 -0.238 . . . . 0.0 111.25 -179.744 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.846 ' CD2' HD22 ' B' ' 89' ' ' LEU . 11.0 tp 159.49 -41.84 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.46 112.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.383 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.821 HG12 HG13 ' B' ' 116' ' ' VAL . 1.1 mt -57.22 -29.53 32.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.765 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.91 -47.69 83.81 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.246 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -35.87 57.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.952 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.846 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.98 -28.6 63.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.563 179.564 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.543 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.42 -50.02 29.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -63.17 -28.47 70.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.517 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . 0.444 ' C ' HD12 ' B' ' 96' ' ' ILE . 57.7 m -64.36 -51.33 63.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.748 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.736 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.7 OUTLIER -59.29 -38.35 79.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.498 ' HE2' HD22 ' B' ' 113' ' ' LEU . 36.9 mmtt -59.78 -38.54 82.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.288 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.461 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.0 OUTLIER -72.04 -49.54 35.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.312 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.768 HG23 HD21 ' C' ' 23' ' ' LEU . 12.0 mt -53.64 -44.1 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.735 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.894 ' HB3' HG21 ' B' ' 109' ' ' ILE . 3.5 pt20 -62.2 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.746 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -85.38 -0.8 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.554 179.129 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.3 m -102.2 -34.2 9.35 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 1.005 HD12 HD11 ' B' ' 109' ' ' ILE . 76.8 mt -82.8 -50.18 8.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.457 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 100' ' ' LEU . 0.0 OUTLIER 45.06 52.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.232 179.373 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.5 OUTLIER -120.47 20.87 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.119 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 73.4 m 63.17 -75.7 0.03 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.821 0.343 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -54.86 -29.25 54.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.176 0.512 . . . . 0.0 109.958 179.198 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.875 ' O ' HD12 ' B' ' 109' ' ' ILE . 2.4 m -67.7 -43.27 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.212 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.17 -35.7 75.92 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.119 0.485 . . . . 0.0 110.487 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.66 -42.55 77.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.242 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.796 ' HB3' HG13 ' C' ' 15' ' ' VAL . 18.8 m-20 -70.44 -44.89 66.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.732 0.777 . . . . 0.0 108.97 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 1.005 HD11 HD12 ' B' ' 100' ' ' LEU . 3.9 mt -58.44 -48.86 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.393 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.633 ' HA ' HD12 ' B' ' 113' ' ' LEU . 66.6 m -57.14 -34.84 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.149 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.867 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.88 -51.39 69.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.847 178.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.861 HD22 HG13 ' C' ' 12' ' ' VAL . 1.4 mt -63.08 -42.27 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.362 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.638 ' CD1' HG22 ' B' ' 109' ' ' ILE . 6.2 mt -56.82 -40.53 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.7 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.4 ' NE2' ' HB3' ' B' ' 110' ' ' SER . 1.4 mt-30 -61.68 -52.34 64.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.558 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.746 ' CD2' HG21 ' C' ' 12' ' ' VAL . 0.9 OUTLIER -60.11 -49.56 77.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.19 179.4 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.853 HG23 ' O ' ' B' ' 112' ' ' LEU . 48.8 t -58.4 -37.28 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.547 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.421 ' NE2' ' CE1' ' B' ' 90' ' ' PHE . 74.4 mt-30 -87.75 -8.57 55.85 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.4 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 1.3 m-20 -61.21 150.67 33.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.717 0.294 . . . . 0.0 110.374 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -72.08 -58.94 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.513 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.78 -46.31 90.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.0 t80 -55.94 -49.92 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.589 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 8.1 mt-30 -54.28 -44.29 71.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . 0.434 ' HB3' HG12 ' D' ' 127' ' ' ILE . 5.9 m120 -59.51 -47.36 85.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.924 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.17 -40.27 81.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.741 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.492 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 4.6 t80 -66.07 -38.49 88.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.828 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 18.0 mmtt -61.77 -37.09 83.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.317 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 1.041 HD11 HD11 ' D' ' 127' ' ' ILE . 10.4 mt -64.68 -49.87 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.272 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.726 ' O ' ' HB ' ' B' ' 132' ' ' THR . 20.6 t-80 -67.11 -27.76 67.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.717 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.866 ' O ' HG23 ' B' ' 133' ' ' VAL . 3.8 t30 -66.23 -60.62 2.61 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . 0.656 ' HB1' ' HE3' ' D' ' 119' ' ' LYS . . . -67.53 -49.93 61.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.93 HG21 HG21 ' A' ' 57' ' ' ILE . 51.3 mt -53.94 -48.35 63.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 121.199 -0.2 . . . . 0.0 111.156 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.884 HG21 HG23 ' B' ' 83' ' ' ILE . 0.8 OUTLIER -56.87 -53.94 52.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.385 0.612 . . . . 0.0 109.768 179.072 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.866 HG23 ' O ' ' B' ' 129' ' ' ASN . 59.0 t -53.26 -45.18 55.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.617 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -33.76 76.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.969 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.9 ttm -66.22 -38.25 87.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.515 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.875 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.83 0.348 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.789 ' O ' HG23 ' C' ' 12' ' ' VAL . 1.4 mt-10 -68.09 -57.7 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -51.95 -41.67 62.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.939 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . 0.403 ' CE ' HD12 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -61.44 -51.7 67.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.445 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.465 ' NE2' HG23 ' C' ' 15' ' ' VAL . 25.7 tp60 -59.53 -36.01 75.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.484 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.867 HG22 HD23 ' B' ' 111' ' ' LEU . 70.2 t -58.38 -45.24 89.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.554 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.758 ' HA ' HD12 ' C' ' 16' ' ' LEU . 12.8 mt -59.46 -49.66 76.95 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.894 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -63.32 -28.46 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.54 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.796 HG13 ' HB3' ' B' ' 108' ' ' ASP . 2.9 t -73.01 -38.25 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.926 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' C' ' 13' ' ' LEU . 9.8 mt -64.12 -39.12 93.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.899 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -71.42 -39.36 71.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.708 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -67.25 -54.24 22.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.818 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.588 HD12 HD11 ' B' ' 112' ' ' LEU . 73.3 mt -53.29 -57.45 10.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.689 ' CB ' HD12 ' C' ' 35' ' ' LEU . 0.9 OUTLIER -52.11 -37.26 53.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.848 179.711 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.73 -46.67 93.09 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.276 -0.964 . . . . 0.0 111.878 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.7 ' HB3' HD22 ' B' ' 100' ' ' LEU . 3.4 mttm -65.45 -32.57 74.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.81 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.768 HD21 HG23 ' B' ' 96' ' ' ILE . 47.7 mt -66.96 -50.18 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.367 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.522 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -61.59 -26.73 68.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.03 178.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.6 -33.1 28.09 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.63 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 -31.28 41.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.406 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.82 23.94 4.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.436 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -119.16 82.95 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.94 0.4 . . . . 0.0 110.167 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.522 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -94.57 18.45 11.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.127 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . 0.431 HG22 HE21 ' C' ' 31' ' ' GLN . 15.5 m -84.6 -38.68 19.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.556 ' HB3' HD11 ' B' ' 96' ' ' ILE . 0.7 OUTLIER -87.51 -16.66 34.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.622 179.523 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . 0.418 ' OD1' ' HD3' ' C' ' 20' ' ' ARG . 1.5 m-80 -47.87 -53.24 16.31 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -32.91 65.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.442 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -66.08 -40.03 90.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.982 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.689 HD12 ' CB ' ' C' ' 20' ' ' ARG . 2.3 mt -70.26 -38.47 75.13 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.432 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -70.47 -33.53 71.37 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' B' ' 84' ' ' LEU . . . -72.37 -45.83 58.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.162 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.709 ' HD2' HD21 ' C' ' 16' ' ' LEU . 4.6 t80 -68.14 -42.89 79.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.273 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.708 ' HA ' HD13 ' C' ' 16' ' ' LEU . 0.7 OUTLIER -56.82 -53.48 57.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.993 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.32 -46.46 86.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.282 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.451 ' CG2' ' CD1' ' C' ' 47' ' ' PHE . 93.3 m -56.59 -37.83 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.052 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.529 ' CD1' HD11 ' C' ' 16' ' ' LEU . 9.0 mt -74.31 -27.49 60.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.717 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.495 ' HG3' HD13 ' C' ' 13' ' ' LEU . 5.5 mtpt -81.57 -36.94 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.63 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -47.64 135.5 10.33 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.325 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.27 -37.15 25.33 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.402 2.068 . . . . 0.0 111.944 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.716 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -61.98 -50.27 72.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.077 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.697 ' CE2' HD21 ' C' ' 51' ' ' LEU . 25.5 t80 -57.5 -45.92 84.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.616 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -55.6 -38.28 69.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.03 -42.27 99.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.296 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.885 HG12 HD21 ' A' ' 53' ' ' LEU . 28.9 mt -59.97 -47.33 92.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.951 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.697 HD21 ' CE2' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.72 -35.79 80.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.401 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 94.5 m -54.03 -50.83 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.125 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.889 HD21 HG12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -60.81 -45.68 93.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.832 179.016 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.544 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -59.68 -34.63 73.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.189 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.23 -39.4 93.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.08 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 7.8 t -60.92 -45.25 95.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.826 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.781 HG21 HG21 ' D' ' 131' ' ' ILE . 6.0 mt -60.32 -34.95 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.103 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -41.85 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.816 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.64 -39.72 92.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.083 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -55.67 -53.14 60.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.661 179.421 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . 0.649 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 4.6 mtpt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.672 ' N ' HD13 ' D' ' 83' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.939 0.399 . . . . 0.0 110.973 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 1.008 HD13 ' HB3' ' A' ' 37' ' ' ALA . 25.0 tp -154.77 -36.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.47 105.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.628 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.778 HG12 HG13 ' D' ' 116' ' ' VAL . 0.6 OUTLIER -49.66 -25.59 2.13 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.528 -179.532 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.17 -47.0 84.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.424 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.87 -34.96 57.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.974 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.679 HD11 HG21 ' D' ' 116' ' ' VAL . 0.1 OUTLIER -72.56 -30.57 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.543 179.383 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.504 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 12.6 t80 -71.97 -47.07 54.85 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.669 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -32.04 73.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.346 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . 0.476 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 2.3 t -61.72 -52.2 65.24 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.847 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.702 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.5 OUTLIER -59.5 -35.3 73.87 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.972 0.415 . . . . 0.0 109.969 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . 0.49 ' NZ ' HD22 ' D' ' 113' ' ' LEU . 4.9 mptt -59.38 -43.16 92.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.656 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . 0.423 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 1.4 t60 -67.39 -53.13 31.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.741 HG23 HD21 ' A' ' 23' ' ' LEU . 11.5 mt -50.88 -41.53 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.043 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.732 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.1 OUTLIER -60.65 -51.26 70.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.052 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -0.75 45.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.535 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . 0.421 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.4 m -101.13 -32.8 10.39 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.709 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 1.017 HD12 HD11 ' D' ' 109' ' ' ILE . 45.1 mt -88.27 -54.77 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.04 39.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.694 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.3 OUTLIER -101.31 22.3 12.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.783 179.604 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 47.7 m 65.28 -72.36 0.07 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.703 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -60.27 -31.13 69.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.151 0.5 . . . . 0.0 109.802 179.217 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.821 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.8 OUTLIER -70.08 -39.76 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.583 179.468 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.19 -37.09 85.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.062 0.458 . . . . 0.0 110.337 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.54 -41.33 79.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.737 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.754 ' CG ' HG22 ' A' ' 15' ' ' VAL . 25.1 m-20 -70.56 -43.14 70.11 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 1.017 HD11 HD12 ' D' ' 100' ' ' LEU . 4.6 mt -59.09 -49.58 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.446 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.618 ' HA ' HD12 ' D' ' 113' ' ' LEU . 45.1 t -57.7 -33.61 68.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.853 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.748 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.93 -51.09 70.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.824 178.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.86 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.7 mt -63.54 -43.04 98.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.378 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.619 ' CD1' HG22 ' D' ' 109' ' ' ILE . 5.4 mt -56.99 -41.13 77.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.754 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.81 -51.22 69.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.986 0.422 . . . . 0.0 110.52 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.626 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.4 mp -59.92 -50.05 75.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.936 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.86 HG23 ' O ' ' D' ' 112' ' ' LEU . 47.8 t -58.3 -41.33 80.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.363 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -83.75 -6.95 59.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.857 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -65.24 136.52 56.72 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.872 0.368 . . . . 0.0 110.449 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . 0.656 ' HE3' ' HB1' ' B' ' 130' ' ' ALA . 0.9 OUTLIER -58.02 -58.34 8.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.433 -179.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' D' ' 120' ' ' ASP . 1.1 m-20 -60.72 -50.3 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.113 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.453 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 7.7 t80 -55.72 -43.31 76.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.65 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 5.5 mt-30 -57.72 -46.63 84.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.033 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.428 ' HB3' HG12 ' B' ' 127' ' ' ILE . 17.2 m-20 -59.87 -46.07 90.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.912 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.8 -48.37 78.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.467 ' HB3' ' CD1' ' D' ' 86' ' ' ILE . 2.7 t80 -60.09 -36.7 77.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 22.6 mmtt -64.17 -36.35 83.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.651 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 1.041 HD11 HD11 ' B' ' 127' ' ' ILE . 10.0 mt -65.44 -49.75 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.119 0.485 . . . . 0.0 110.647 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.682 ' O ' ' HB ' ' D' ' 132' ' ' THR . 8.8 t-80 -67.3 -32.51 73.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.965 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.916 ' O ' HG23 ' D' ' 133' ' ' VAL . 17.0 m-20 -63.89 -60.8 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.9 -52.1 47.29 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.781 HG21 HG21 ' C' ' 57' ' ' ILE . 53.5 mt -53.54 -36.51 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.691 0.281 . . . . 0.0 110.548 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.682 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -63.18 -50.11 71.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.532 0.682 . . . . 0.0 109.167 178.287 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.916 HG23 ' O ' ' D' ' 129' ' ' ASN . 16.7 t -52.82 -51.2 38.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.801 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -30.89 71.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.243 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . 0.415 ' HG3' ' HG3' ' C' ' 61' ' ' LYS . 28.4 ttm . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.929 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.79 0.329 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.782 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.3 mt-10 -67.82 -57.57 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HG2' HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -57.26 -43.38 83.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.74 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.42 -47.05 87.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.007 0.432 . . . . 0.0 110.004 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.505 ' NE2' HG23 ' A' ' 15' ' ' VAL . 28.1 tp60 -64.41 -34.71 78.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.507 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 8' ' ' GLU . 43.9 t -59.68 -49.02 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.56 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.594 ' HA ' HD12 ' A' ' 16' ' ' LEU . 13.1 mt -59.43 -42.85 92.83 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -28.49 68.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.397 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.757 HG22 ' CG ' ' D' ' 108' ' ' ASP . 3.5 t -74.12 -38.05 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.7 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.631 HD21 ' HD2' ' A' ' 38' ' ' PHE . 40.6 mt -64.17 -37.99 89.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.88 -45.58 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -61.2 -54.24 46.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.05 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.552 HD12 HD11 ' D' ' 112' ' ' LEU . 85.4 mt -53.39 -57.28 11.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.932 0.396 . . . . 0.0 110.47 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.66 ' HB2' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -49.9 -34.97 21.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.203 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.1 -48.28 76.87 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.13 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.747 ' HB3' HD22 ' D' ' 100' ' ' LEU . 1.9 mttp -60.15 -36.05 76.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.583 0.23 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.756 HD23 HD21 ' D' ' 100' ' ' LEU . 20.0 mt -64.59 -50.11 68.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.966 0.412 . . . . 0.0 110.498 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.5 -28.31 65.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.201 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.43 -32.49 28.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -83.15 -30.6 27.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.333 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.8 22.67 5.28 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.525 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 20.2 m-20 -113.11 78.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.987 0.422 . . . . 0.0 110.045 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.92 15.98 13.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.3 m -85.24 -40.51 16.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.426 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.512 ' HG3' ' CD2' ' D' ' 95' ' ' HIS . 0.7 OUTLIER -81.64 -24.52 36.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.424 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -48.36 -43.54 33.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.759 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.69 -32.97 69.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.084 0.468 . . . . 0.0 109.919 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HA ' ' CD1' ' D' ' 84' ' ' LEU . 25.5 mmmt -72.05 -39.48 69.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.256 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 20' ' ' ARG . 2.0 mt -68.37 -31.26 70.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.508 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.32 -34.57 63.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.139 0.495 . . . . 0.0 109.845 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.054 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -75.19 -49.05 20.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.52 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.631 ' HD2' HD21 ' A' ' 16' ' ' LEU . 2.5 t80 -61.11 -46.5 90.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.135 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.517 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 1.3 t80 -57.39 -53.45 57.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.932 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.82 -52.3 64.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.172 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.8 m -55.89 -32.77 64.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.922 0.392 . . . . 0.0 110.601 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.498 HD22 ' HG2' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -68.21 -37.22 80.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.115 179.237 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -77.58 -30.72 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.529 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.415 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 53.8 m -39.53 127.47 1.43 Allowed Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.633 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 31.7 Cg_exo -58.26 -55.71 2.04 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.547 2.165 . . . . 0.0 112.358 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.759 HD11 HD11 ' C' ' 57' ' ' ILE . 1.3 tp -58.05 -46.15 85.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.582 ' CE2' HD11 ' A' ' 51' ' ' LEU . 46.1 t80 -58.99 -47.63 84.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.388 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -55.92 -33.2 64.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -65.94 -41.92 90.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.236 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.755 HG12 HD21 ' C' ' 53' ' ' LEU . 2.4 mt -59.58 -47.86 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.395 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.61 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.2 -37.68 88.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.119 179.381 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -53.65 -48.29 69.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.91 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.801 HD21 HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -58.81 -45.0 90.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.423 178.607 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.584 HE21 ' HB2' ' D' ' 124' ' ' ALA . 4.1 mm-40 -60.53 -35.62 76.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.123 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -59.75 -42.34 93.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.076 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -46.34 90.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.806 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.811 HG21 HG21 ' B' ' 131' ' ' ILE . 14.0 mt -61.84 -34.77 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.04 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -39.72 86.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.775 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -40.58 95.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.106 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -52.84 -54.53 33.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.589 179.404 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.436 ' HD2' HG22 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -59.59 -38.89 82.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.882 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.592 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.757 0.313 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.743 HD11 HG22 ' B' ' 133' ' ' VAL . 0.2 OUTLIER -93.67 -172.77 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.031 0.443 . . . . 0.0 111.304 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.836 HD13 ' HB3' ' C' ' 37' ' ' ALA . 0.7 OUTLIER -177.55 62.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.298 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -37.72 122.72 0.98 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.737 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.893 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -49.65 -24.84 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.88 -179.056 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.08 -48.26 81.0 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.656 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.5 -33.98 54.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.078 0.466 . . . . 0.0 109.995 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.7 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.15 -29.92 64.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.375 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 14.5 t80 -72.55 -50.3 26.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.044 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 2.1 m -61.78 -29.52 70.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.555 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 55.7 m -63.07 -53.2 57.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.447 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.7 OUTLIER -57.18 -36.57 70.98 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -59.6 -40.98 89.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.843 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.434 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 0.6 OUTLIER -69.33 -49.57 54.54 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.338 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.696 HG23 HD21 ' C' ' 23' ' ' LEU . 13.3 mt -52.39 -45.19 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.101 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.93 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -58.97 -49.67 76.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.508 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.2 m170 -80.59 -3.75 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.493 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . 0.42 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.4 m -97.08 -33.3 11.57 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.454 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.816 HD12 HD11 ' B' ' 109' ' ' ILE . 35.1 mt -87.21 -48.54 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.122 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.15 41.13 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.608 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.4 OUTLIER -105.71 19.92 19.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.848 179.6 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.3 -72.86 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.726 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -58.53 -27.44 64.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.094 0.473 . . . . 0.0 109.907 179.288 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.868 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.5 OUTLIER -69.57 -44.35 71.02 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.078 179.259 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -32.88 72.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.048 0.451 . . . . 0.0 110.107 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.71 -42.47 73.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.798 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.776 ' HB3' HG13 ' C' ' 15' ' ' VAL . 1.7 m-20 -70.51 -43.46 69.59 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.93 HD13 ' HA ' ' B' ' 97' ' ' GLN . 4.0 mt -59.58 -48.65 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.315 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.605 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.2 m -56.11 -35.21 66.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.82 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.724 HD23 HG22 ' C' ' 12' ' ' VAL . 0.2 OUTLIER -56.71 -51.29 69.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.674 178.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.795 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.0 mt -63.06 -41.96 99.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.354 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.65 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.0 mt -57.96 -40.02 79.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.573 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.28 -52.04 66.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.671 HD21 HG21 ' C' ' 12' ' ' VAL . 0.9 OUTLIER -61.17 -48.08 83.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.414 0.626 . . . . 0.0 110.071 179.135 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.893 HG13 HG12 ' B' ' 86' ' ' ILE . 93.7 t -60.24 -36.41 68.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.539 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 42.2 mt-30 -88.06 -9.2 54.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 0.4 OUTLIER -58.14 150.7 20.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.687 0.279 . . . . 0.0 110.6 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -59.13 2.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.245 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -61.02 -46.54 90.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.3 t80 -55.94 -52.46 64.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.558 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -53.35 -38.76 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.798 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . 0.534 ' O ' HG13 ' B' ' 127' ' ' ILE . 11.5 m120 -62.19 -51.93 65.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.755 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -56.93 -49.04 76.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.374 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.532 ' CD1' HD12 ' B' ' 86' ' ' ILE . 15.0 t80 -56.27 -42.0 76.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.463 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . 0.425 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 0.5 OUTLIER -63.23 -37.71 88.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.651 -179.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 1.073 HD11 HD11 ' D' ' 127' ' ' ILE . 45.0 mt -59.23 -50.01 81.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.431 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.79 ' O ' ' HB ' ' B' ' 132' ' ' THR . 25.0 t-80 -62.8 -34.76 77.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.325 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.881 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.6 OUTLIER -55.23 -60.76 2.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.612 -179.471 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.33 -48.54 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.695 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.811 HG21 HG21 ' A' ' 57' ' ' ILE . 43.9 mt -55.87 -42.05 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.106 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.79 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.6 OUTLIER -61.68 -50.12 73.74 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.881 HG23 ' O ' ' B' ' 129' ' ' ASN . 49.7 t -55.61 -42.62 69.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.645 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.19 -31.06 72.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.176 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.6 ttm -66.68 -48.36 69.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.718 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 42.7 t30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.908 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.775 0.321 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.722 ' O ' HG23 ' C' ' 12' ' ' VAL . 1.4 mm-40 -62.0 -56.93 14.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.761 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -57.95 -41.32 82.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.625 179.71 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -53.09 60.76 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.921 ' O ' HG23 ' C' ' 15' ' ' VAL . 23.0 tp60 -57.61 -38.8 75.56 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.724 HG22 HD23 ' B' ' 111' ' ' LEU . 37.8 t -54.91 -54.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.883 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.596 HD13 ' HG3' ' C' ' 43' ' ' LYS . 13.3 mt -55.07 -41.53 71.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.09 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -28.33 66.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.552 178.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.921 HG23 ' O ' ' C' ' 11' ' ' GLN . 79.1 t -72.65 -38.07 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.861 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.739 HD23 HD13 ' B' ' 112' ' ' LEU . 32.6 mt -64.33 -43.36 94.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.622 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -68.71 -44.47 73.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.98 -54.65 44.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.96 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.6 HD12 HD11 ' B' ' 112' ' ' LEU . 92.0 mt -52.98 -56.93 12.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.31 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.686 ' CB ' HD12 ' C' ' 35' ' ' LEU . 1.7 tmm_? -48.57 -38.39 20.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.034 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.69 -50.43 67.82 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.237 -0.982 . . . . 0.0 111.825 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.698 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.2 mttm -59.76 -34.56 73.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.721 0.296 . . . . 0.0 111.05 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.696 HD21 HG23 ' B' ' 96' ' ' ILE . 18.8 mt -68.15 -49.99 57.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 110.626 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.435 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.3 OUTLIER -57.47 -28.07 63.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.334 179.516 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -82.74 -37.44 24.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.18 0.514 . . . . 0.0 110.221 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -74.45 -30.29 61.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.274 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.13 23.16 5.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.367 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 11.0 m-20 -116.25 79.45 1.31 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.994 0.426 . . . . 0.0 110.178 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.435 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -90.39 8.37 33.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.27 179.675 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 95.8 m -74.47 -42.18 59.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.47 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.644 ' HB3' HD11 ' B' ' 96' ' ' ILE . 1.9 mm-40 -78.02 -24.92 47.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -44.4 -51.38 8.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.92 -32.64 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.395 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' B' ' 84' ' ' LEU . 2.0 mmmm -72.92 -39.73 66.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.686 HD12 ' CB ' ' C' ' 20' ' ' ARG . 2.0 mt -70.0 -30.69 68.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.786 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -31.35 55.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.969 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.836 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -77.44 -47.83 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.493 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.46 ' CA ' HD22 ' B' ' 84' ' ' LEU . 3.3 t80 -65.44 -36.63 84.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.338 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.477 ' HA ' HD13 ' C' ' 16' ' ' LEU . 61.0 t80 -67.3 -52.99 33.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.324 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -52.34 66.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.336 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.441 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 97.1 m -56.81 -39.36 74.01 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.846 0.355 . . . . 0.0 110.582 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.59 ' HB3' HD21 ' C' ' 13' ' ' LEU . 0.3 OUTLIER -60.76 -36.41 78.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.24 179.212 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.596 ' HG3' HD13 ' C' ' 13' ' ' LEU . 18.6 mtpt -79.1 -32.72 44.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.602 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.8 134.29 4.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.319 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.45 -42.89 8.91 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.385 2.057 . . . . 0.0 112.12 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.587 HD13 HG12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -59.98 -55.17 37.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.182 179.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.888 ' CE1' HD21 ' C' ' 51' ' ' LEU . 26.1 t80 -58.77 -45.21 90.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.453 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -56.49 -35.2 67.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.573 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -65.71 -41.96 91.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.279 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.801 HG12 HD21 ' A' ' 53' ' ' LEU . 8.4 mt -59.16 -45.5 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.873 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.888 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -68.4 -35.75 78.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.461 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -53.92 -47.32 71.31 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.755 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -61.55 -47.67 84.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.623 178.652 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.626 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -59.03 -31.95 69.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.733 178.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -65.05 -38.3 90.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.916 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -60.65 -50.09 74.89 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.892 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 1.055 HG21 HG21 ' D' ' 131' ' ' ILE . 63.5 mt -59.96 -36.65 68.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.857 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -59.91 -36.71 77.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.96 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -66.39 -40.61 89.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.951 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.3 mt -54.47 -50.41 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.516 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.889 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.586 HD12 HG22 ' D' ' 132' ' ' THR . 1.5 mm . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.038 0.447 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 1.054 HD13 ' HB3' ' A' ' 37' ' ' ALA . 3.6 tp -146.78 53.41 1.1 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.5 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.87 126.48 2.49 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.445 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.757 HG12 HG13 ' D' ' 116' ' ' VAL . 0.7 OUTLIER -49.3 -25.01 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.823 -178.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -42.73 97.62 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.372 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.94 -39.13 35.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.24 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.719 HD11 HG21 ' D' ' 116' ' ' VAL . 0.1 OUTLIER -72.38 -28.83 63.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.545 179.61 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.53 ' CB ' ' O ' ' D' ' 86' ' ' ILE . 1.5 t80 -72.48 -47.14 51.07 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -64.11 -28.45 69.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.664 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . 0.433 ' HA ' ' OE1' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -65.84 -49.21 68.99 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.621 179.613 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.7 OUTLIER -60.18 -39.18 85.57 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 120.975 0.417 . . . . 0.0 110.111 179.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -40.58 89.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.116 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . 0.512 ' CD2' ' HG3' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -69.51 -48.98 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.293 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' D' ' 93' ' ' LEU . 20.6 mt -51.87 -47.88 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.06 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.908 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.9 OUTLIER -57.48 -49.55 75.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.222 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -81.39 -1.09 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.025 0.441 . . . . 0.0 110.646 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.4 m -99.82 -32.79 10.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.489 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.898 HD12 HD11 ' D' ' 109' ' ' ILE . 57.1 mt -89.31 -47.57 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.364 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.89 41.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.59 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' D' ' 104' ' ' GLN . 1.1 m-20 -104.43 18.03 22.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.988 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.6 -72.1 0.08 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.767 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -57.25 -33.06 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.178 0.513 . . . . 0.0 110.014 179.461 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.856 ' O ' HD12 ' D' ' 109' ' ' ILE . 85.0 p -68.01 -42.14 81.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.533 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -35.84 76.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.033 0.444 . . . . 0.0 110.457 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.08 -41.57 77.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.724 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.757 ' CG ' HG22 ' A' ' 15' ' ' VAL . 12.2 m-20 -70.54 -42.33 71.32 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.908 HD13 ' HA ' ' D' ' 97' ' ' GLN . 4.1 mt -59.74 -49.07 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.332 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.569 ' HA ' HD12 ' D' ' 113' ' ' LEU . 8.4 t -56.41 -34.85 67.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.823 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.753 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.79 -51.32 69.39 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.781 178.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.808 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.9 mt -63.63 -41.82 98.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.352 178.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.681 ' CD1' HG22 ' D' ' 109' ' ' ILE . 4.2 mt -57.5 -40.65 79.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.673 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.91 -52.18 65.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.461 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.686 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.3 mp -59.95 -51.07 71.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.124 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.808 HG23 ' O ' ' D' ' 112' ' ' LEU . 61.0 t -57.08 -33.66 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.376 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -94.47 -4.21 48.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.777 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.64 128.61 36.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.699 0.285 . . . . 0.0 110.428 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -50.12 -58.74 4.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.599 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.09 -49.14 78.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 10.3 t80 -55.78 -49.59 72.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.79 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 1.9 mt-30 -55.64 -37.81 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.469 ' HB3' HG12 ' B' ' 127' ' ' ILE . 6.4 m-20 -60.56 -51.06 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.709 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.943 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -57.2 -42.84 82.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.096 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.45 ' CG ' ' CD1' ' D' ' 86' ' ' ILE . 4.3 t80 -65.11 -38.88 92.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.44 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 17.4 mmtt -62.86 -35.53 80.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 1.073 HD11 HD11 ' B' ' 127' ' ' ILE . 7.9 mt -66.37 -49.89 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.655 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.2 t-80 -67.62 -38.81 84.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.788 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.944 ' O ' HG23 ' D' ' 133' ' ' VAL . 1.3 t30 -56.02 -60.8 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.969 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.13 41.06 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 1.055 HG21 HG21 ' C' ' 57' ' ' ILE . 65.8 mt -53.69 -35.74 27.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.349 . . . . 0.0 110.516 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.655 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.9 OUTLIER -63.81 -53.18 54.8 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.163 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.944 HG23 ' O ' ' D' ' 129' ' ' ASN . 21.8 t -52.97 -47.07 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.348 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.805 0.336 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.777 ' O ' HG23 ' A' ' 12' ' ' VAL . 36.2 mt-10 -66.23 -47.96 72.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.726 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.95 -44.75 96.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.515 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -48.59 79.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.072 0.463 . . . . 0.0 109.775 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.806 ' O ' HG23 ' A' ' 15' ' ' VAL . 29.7 tp60 -63.09 -33.79 76.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.859 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 8' ' ' GLU . 10.7 t -58.89 -56.69 15.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.564 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.88 HD13 ' HE2' ' A' ' 43' ' ' LYS . 19.1 mt -54.63 -42.09 70.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.438 . . . . 0.0 110.341 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -28.24 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.877 178.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.825 HG13 ' HB3' ' D' ' 108' ' ' ASP . 25.5 t -75.19 -37.84 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.096 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 13' ' ' LEU . 13.7 mt -64.59 -40.91 96.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.819 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -41.15 71.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.723 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -54.31 28.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.651 HD12 HD11 ' D' ' 112' ' ' LEU . 58.0 mt -54.37 -57.48 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.6 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.759 ' HB2' HD12 ' A' ' 35' ' ' LEU . 2.6 tmm_? -53.17 -33.78 54.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.718 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.97 -49.25 80.7 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.796 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.576 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.2 OUTLIER -61.65 -35.91 79.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 110.653 179.558 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 20' ' ' ARG . 39.1 mt -63.09 -50.44 70.52 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.723 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.407 ' HG2' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -56.59 -32.13 64.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.73 -26.24 32.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.237 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.431 ' CE ' ' HA ' ' D' ' 100' ' ' LEU . 11.6 mttm -79.28 -38.13 36.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.64 -7.67 11.13 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.567 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -94.35 86.66 4.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 110.254 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.55 15.15 13.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.849 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.6 m -78.2 -56.26 4.61 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.623 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.401 ' NE2' ' CD2' ' D' ' 95' ' ' HIS . 2.8 mp0 -72.78 -20.75 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 3.1 m-20 -50.79 -47.61 59.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -32.12 65.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.187 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -67.26 -45.96 75.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.252 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.759 HD12 ' HB2' ' A' ' 20' ' ' ARG . 1.4 mt -59.67 -32.0 70.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 t -76.48 -32.74 58.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.785 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.741 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.95 -46.37 62.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.495 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD2' HD21 ' A' ' 16' ' ' LEU . 3.1 t80 -68.79 -49.2 60.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.218 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.596 ' CA ' HD13 ' A' ' 16' ' ' LEU . 44.4 t80 -54.66 -54.51 40.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.339 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HA ' ' HG3' ' A' ' 43' ' ' LYS . 1.3 mm-40 -61.02 -52.23 65.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.7 m -54.86 -31.6 59.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.534 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.582 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -68.52 -34.98 76.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.4 179.472 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.88 ' HE2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -70.73 -32.2 69.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.71 126.0 6.51 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.304 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.35 -32.39 72.31 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.469 2.113 . . . . 0.0 112.143 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.694 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -66.27 -55.06 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.67 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.522 ' CE1' HD21 ' A' ' 51' ' ' LEU . 9.8 t80 -58.22 -43.4 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -57.73 -36.93 72.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.458 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -40.89 96.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.243 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.853 HG12 HD21 ' C' ' 53' ' ' LEU . 13.4 mt -59.21 -46.66 92.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.841 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.614 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -64.86 -37.57 88.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.321 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 m -53.42 -51.41 62.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.038 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.895 HD21 HG12 ' C' ' 50' ' ' ILE . 0.5 OUTLIER -58.55 -42.53 88.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.603 178.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.519 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 4.0 mm-40 -60.74 -37.58 82.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.194 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -59.77 -40.99 90.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.038 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 m -60.69 -45.99 92.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.767 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.947 HG21 HG21 ' B' ' 131' ' ' ILE . 12.0 mt -60.85 -34.67 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.149 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 14.4 mttm -59.95 -42.87 95.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.742 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -39.17 91.13 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.989 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.5 mt -56.78 -44.22 81.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.456 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.892 ' HE3' HG23 ' B' ' 131' ' ' ILE . 0.0 OUTLIER -59.82 -56.74 18.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.75 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.662 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.73 0.3 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.752 HD11 HG22 ' B' ' 133' ' ' VAL . 0.1 OUTLIER -94.53 -166.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.087 -179.741 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.803 ' CD2' HD22 ' B' ' 89' ' ' LEU . 7.2 tp -144.29 -39.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.242 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.31 114.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.538 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.929 HG12 HG13 ' B' ' 116' ' ' VAL . 1.1 mt -57.41 -25.03 23.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.574 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -64.16 -47.22 80.71 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.191 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -34.35 49.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.752 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.803 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.02 -30.44 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.409 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 14.9 t80 -72.42 -50.21 28.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.91 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -28.13 69.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.598 178.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 46.6 m -65.07 -51.48 61.22 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.784 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.729 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -57.71 -38.7 75.7 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.024 0.44 . . . . 0.0 109.976 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.425 ' HE3' HD22 ' B' ' 113' ' ' LEU . 0.6 OUTLIER -59.47 -41.66 90.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.772 179.316 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -67.36 -51.26 54.33 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.673 HG23 HD21 ' C' ' 23' ' ' LEU . 13.9 mt -51.23 -46.92 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.19 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.889 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.2 OUTLIER -57.82 -49.8 75.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.223 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.72 -3.12 49.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.038 0.446 . . . . 0.0 110.552 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.3 m -97.8 -33.15 11.37 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.451 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.92 HD21 HD23 ' C' ' 23' ' ' LEU . 44.9 mt -88.78 -48.29 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.396 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.94 41.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.404 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.47 16.48 26.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.997 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.52 -71.29 0.09 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.716 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -33.96 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 109.953 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.846 ' O ' HD12 ' B' ' 109' ' ' ILE . 6.8 p -67.78 -39.87 84.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.35 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . 0.413 ' H ' ' HG2' ' B' ' 106' ' ' GLN . 2.2 mm100 -60.28 -38.49 83.73 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.137 0.494 . . . . 0.0 110.023 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.7 -41.49 87.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.007 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.788 ' HB3' HG13 ' C' ' 15' ' ' VAL . 20.1 m-20 -70.26 -43.28 70.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.625 0.726 . . . . 0.0 109.046 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.889 HD13 ' HA ' ' B' ' 97' ' ' GLN . 4.0 mt -58.88 -48.94 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.268 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.582 ' HA ' HD12 ' B' ' 113' ' ' LEU . 54.8 m -56.85 -34.52 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.896 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.694 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.68 -51.42 68.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.68 178.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.897 HD22 HG13 ' C' ' 12' ' ' VAL . 1.8 mt -63.67 -41.71 98.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.374 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.652 ' CD1' HG22 ' B' ' 109' ' ' ILE . 4.9 mt -58.14 -39.48 78.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.675 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -61.57 -52.01 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.289 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.789 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.0 OUTLIER -60.89 -49.15 78.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.345 0.593 . . . . 0.0 109.909 179.067 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.929 HG13 HG12 ' B' ' 86' ' ' ILE . 98.8 t -56.61 -33.48 39.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.383 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 47.5 mt-30 -93.65 -8.16 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.42 137.94 58.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.659 0.266 . . . . 0.0 110.429 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -59.18 -59.38 5.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.386 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -46.05 91.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.829 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.0 t80 -57.83 -50.97 71.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.689 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.03 -36.78 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.234 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . 0.593 ' O ' HG13 ' B' ' 127' ' ' ILE . 19.5 m120 -63.58 -51.67 64.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.005 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.628 ' HB2' HE21 ' C' ' 54' ' ' GLN . . . -56.73 -49.52 74.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.0 0.429 . . . . 0.0 111.337 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.622 ' CG ' HD12 ' B' ' 86' ' ' ILE . 9.8 t80 -55.54 -38.55 69.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.813 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -31.58 71.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.706 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.972 HD11 HD11 ' D' ' 127' ' ' ILE . 5.5 mt -63.41 -49.72 81.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.041 0.448 . . . . 0.0 110.39 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.776 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.7 t-80 -66.69 -38.79 87.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.951 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.867 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.5 OUTLIER -55.3 -60.49 3.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.175 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . 0.766 ' HB1' ' CD ' ' D' ' 119' ' ' LYS . . . -65.45 -49.3 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 0.0 111.744 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.947 HG21 HG21 ' A' ' 57' ' ' ILE . 62.8 mt -57.65 -42.24 81.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.262 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.776 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -60.4 -45.44 93.59 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.251 0.548 . . . . 0.0 109.558 179.043 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 129' ' ' ASN . 60.3 t -56.93 -51.2 71.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.482 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.54 -30.79 71.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.245 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 14.8 ttm -56.05 -59.7 4.54 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.966 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.984 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.846 ' O ' HG23 ' C' ' 12' ' ' VAL . 2.6 mt-10 -63.12 -48.4 78.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.798 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.463 ' HG2' HD22 ' C' ' 42' ' ' LEU . 0.1 OUTLIER -51.64 -42.5 62.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.1 tpt -61.7 -52.41 64.42 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.753 ' O ' HG23 ' C' ' 15' ' ' VAL . 27.6 tp60 -59.74 -31.43 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.649 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.897 HG13 HD22 ' B' ' 112' ' ' LEU . 70.6 t -63.01 -46.64 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.474 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.717 ' HA ' HD12 ' C' ' 16' ' ' LEU . 14.6 mt -58.31 -46.82 85.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.058 0.456 . . . . 0.0 109.904 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -65.1 -28.5 69.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.483 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.788 HG13 ' HB3' ' B' ' 108' ' ' ASP . 21.3 t -74.21 -37.18 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.053 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' C' ' 13' ' ' LEU . 17.5 mt -64.53 -39.69 94.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.782 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.35 -45.02 66.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.03 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -61.14 -54.54 43.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.09 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 81.6 mt -53.63 -56.56 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.966 0.412 . . . . 0.0 110.15 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.636 ' CB ' HD12 ' C' ' 35' ' ' LEU . 5.6 tmm_? -48.77 -38.94 23.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.238 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.22 -47.03 93.19 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.117 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.749 ' HB3' HD22 ' B' ' 100' ' ' LEU . 0.4 OUTLIER -62.6 -36.9 84.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.494 0.188 . . . . 0.0 111.376 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.92 HD23 HD21 ' B' ' 100' ' ' LEU . 15.9 mt -64.86 -50.32 67.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 110.502 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.402 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.2 OUTLIER -59.71 -27.66 66.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.279 179.368 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -82.5 -32.61 28.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.678 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -83.64 -28.98 28.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.277 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.35 19.93 5.67 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.365 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 21.3 m-20 -109.15 76.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 0.0 110.167 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.402 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -89.95 10.17 24.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.32 179.659 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 89.5 m -78.51 -56.1 4.7 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.362 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.514 ' HB3' HD11 ' B' ' 96' ' ' ILE . 3.9 mp0 -70.14 -20.86 63.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.585 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . 0.409 ' ND2' ' HG2' ' C' ' 20' ' ' ARG . 0.5 OUTLIER -44.07 -52.69 6.98 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.12 179.753 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -56.83 -32.79 66.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.517 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -66.35 -40.55 89.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.396 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.647 ' N ' HD23 ' C' ' 35' ' ' LEU . 2.0 mt -68.56 -33.33 73.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.412 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -31.51 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.876 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.678 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -75.0 -44.61 47.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.553 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.737 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 3.7 t80 -69.75 -44.59 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.459 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.588 ' CA ' HD13 ' C' ' 16' ' ' LEU . 2.0 t80 -59.8 -53.18 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.053 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.76 -52.08 66.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.001 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.455 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 92.7 m -57.45 -36.14 71.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.849 0.357 . . . . 0.0 110.532 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.737 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 2.1 mt -63.65 -34.0 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.17 0.51 . . . . 0.0 109.948 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.455 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 22.1 mtpt -84.25 -29.78 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.666 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . 0.429 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 31.2 t -44.35 135.63 4.26 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.395 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 25.1 Cg_exo -61.72 -48.18 9.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.468 2.112 . . . . 0.0 112.017 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.579 HD13 HG12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.83 -55.06 39.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.551 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.607 ' CE1' HD21 ' C' ' 51' ' ' LEU . 16.4 t80 -56.77 -46.83 81.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.624 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -55.97 -36.95 68.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.592 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -63.75 -41.19 98.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.895 HG12 HD21 ' A' ' 53' ' ' LEU . 26.4 mt -60.85 -47.16 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.609 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -67.63 -34.64 77.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.243 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -53.85 -54.02 44.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.993 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.853 HD21 HG12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -58.3 -46.27 86.41 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.602 178.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.628 HE21 ' HB2' ' B' ' 124' ' ' ALA . 4.3 mt-30 -60.17 -31.25 69.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.911 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -41.68 99.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.651 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -60.77 -43.77 97.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.459 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.768 ' HA ' HD12 ' C' ' 60' ' ' LEU . 5.7 mt -61.41 -34.64 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.825 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -43.34 95.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.614 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -42.17 95.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.102 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.0 OUTLIER -51.83 -54.8 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.507 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . 0.844 ' HE3' HG23 ' D' ' 131' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.036 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.808 HD11 HG22 ' D' ' 133' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.605 0.241 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 0.79 ' CD2' HD22 ' D' ' 89' ' ' LEU . 14.2 tp -139.55 -41.6 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.446 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.85 110.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.2 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.918 HG12 HG13 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -55.36 -25.69 17.67 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.768 -179.063 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.53 -47.23 82.49 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.075 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -33.6 54.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.683 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.79 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -72.15 -30.01 64.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.271 179.396 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.564 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 8.3 t80 -72.38 -50.31 27.49 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.941 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -62.94 -28.77 70.3 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 35.3 m -63.24 -53.22 56.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.722 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.797 ' HA ' HD12 ' D' ' 96' ' ' ILE . 0.8 OUTLIER -58.18 -37.29 74.46 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . 0.433 ' HE2' ' CE1' ' D' ' 90' ' ' PHE . 0.6 OUTLIER -59.52 -37.2 77.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.0 OUTLIER -72.36 -48.54 40.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.107 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' D' ' 93' ' ' LEU . 12.0 mt -55.41 -43.12 70.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.612 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.858 ' HA ' HD13 ' D' ' 109' ' ' ILE . 12.7 pt20 -63.13 -43.5 98.21 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.557 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . 0.418 ' N ' ' HG3' ' D' ' 97' ' ' GLN . 2.4 m80 -86.02 -0.89 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.451 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . 0.433 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.6 m -102.61 -32.64 9.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.495 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.915 HD12 HD11 ' D' ' 109' ' ' ILE . 78.4 mt -90.97 -48.75 6.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.288 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.53 34.98 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.654 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.81 19.18 11.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.928 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.93 -70.15 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -32.94 70.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.101 0.476 . . . . 0.0 109.971 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.801 ' O ' HD12 ' D' ' 109' ' ' ILE . 90.9 p -70.05 -40.05 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.622 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -34.74 78.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 110.359 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.89 -40.75 72.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.427 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.825 ' HB3' HG13 ' A' ' 15' ' ' VAL . 15.2 m-20 -70.93 -40.96 71.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.753 0.787 . . . . 0.0 109.119 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.915 HD11 HD12 ' D' ' 100' ' ' LEU . 5.3 mt -62.38 -49.52 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.551 178.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.636 ' HA ' HD12 ' D' ' 113' ' ' LEU . 12.3 t -55.96 -37.94 69.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.306 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.568 HD23 HD23 ' D' ' 112' ' ' LEU . 7.0 tt -56.92 -50.25 73.13 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.844 ' O ' HG23 ' D' ' 116' ' ' VAL . 4.0 mt -61.49 -43.83 98.17 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' D' ' 110' ' ' SER . 5.1 mt -55.5 -39.25 70.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.346 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.83 -52.1 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.398 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.61 ' CD2' HG21 ' A' ' 12' ' ' VAL . 2.8 mp -59.53 -49.38 78.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.351 0.596 . . . . 0.0 109.945 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.918 HG13 HG12 ' D' ' 86' ' ' ILE . 61.8 t -55.45 -36.99 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.676 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.468 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 53.9 mt-30 -89.18 -10.3 47.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 1.1 m-20 -61.25 127.59 32.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 0.0 110.48 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . 0.766 ' CD ' ' HB1' ' B' ' 130' ' ' ALA . 0.4 OUTLIER -52.23 -58.95 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.532 -179.313 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.52 -47.47 85.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.0 t80 -55.93 -51.87 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.753 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -38.85 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.995 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -59.99 -48.65 80.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.921 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -58.77 -49.22 78.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.015 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.647 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 2.9 t80 -60.31 -40.34 90.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.463 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -35.68 81.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.626 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 0.972 HD11 HD11 ' B' ' 127' ' ' ILE . 10.6 mt -64.06 -49.63 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.01 0.433 . . . . 0.0 110.444 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.686 ' O ' ' HB ' ' D' ' 132' ' ' THR . 20.2 t-80 -63.18 -45.63 90.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.317 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.882 ' O ' HG23 ' D' ' 133' ' ' VAL . 25.6 t-20 -55.31 -60.81 2.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.67 -52.0 65.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.844 HG23 ' HE3' ' C' ' 61' ' ' LYS . 52.8 mt -56.11 -40.78 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.357 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.686 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -60.67 -43.96 97.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.263 0.554 . . . . 0.0 109.565 178.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.882 HG23 ' O ' ' D' ' 129' ' ' ASN . 50.5 t -55.65 -51.66 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.542 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -64.02 -30.71 71.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.107 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.2 ttm . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.081 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.807 0.337 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.737 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.5 mm-40 -67.86 -53.39 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.487 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.3 tttt -53.76 -43.35 69.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 mmt -60.64 -44.5 96.32 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.508 ' NE2' HG23 ' A' ' 15' ' ' VAL . 25.1 tp60 -68.23 -31.37 70.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.662 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.746 HG21 ' CD2' ' D' ' 115' ' ' LEU . 60.8 t -62.69 -56.34 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.637 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.86 ' HA ' HD12 ' A' ' 16' ' ' LEU . 20.7 mt -55.49 -42.6 74.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.046 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -69.63 -28.24 65.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.555 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.817 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.1 t -73.66 -37.02 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.942 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 13' ' ' LEU . 10.7 mt -64.75 -45.19 87.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.992 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -67.67 -39.26 84.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.777 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -53.21 18.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.649 HD12 HD11 ' D' ' 112' ' ' LEU . 35.8 mt -52.28 -57.8 8.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.045 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.839 ' CB ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -56.88 -37.85 71.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.258 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 24' ' ' GLN . . . -57.43 -44.4 93.64 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.544 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.619 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.7 OUTLIER -62.72 -41.1 98.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.2 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.653 HD21 HG23 ' D' ' 96' ' ' ILE . 23.4 mt -62.96 -50.43 70.82 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.681 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -54.47 -31.16 55.18 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.271 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.481 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 1.1 mm-40 -83.38 -32.11 26.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.886 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 22' ' ' LYS . 7.5 mttt -73.67 -31.8 63.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.991 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.37 6.47 9.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.288 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -110.94 82.97 1.68 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.947 0.404 . . . . 0.0 110.051 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.55 HG22 ' ND2' ' A' ' 32' ' ' ASN . 0.2 OUTLIER -95.61 32.26 1.86 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.282 0.563 . . . . 0.0 109.637 179.701 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.3 m -101.09 -40.5 7.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.466 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.647 ' HB3' HD11 ' D' ' 96' ' ' ILE . 3.2 mm-40 -72.36 -26.16 61.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.583 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.55 ' ND2' HG22 ' A' ' 29' ' ' THR . 33.6 p-10 -47.98 -46.32 32.48 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -32.89 66.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.061 0.458 . . . . 0.0 110.007 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -75.85 -44.64 39.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.876 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.839 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.3 mt -63.4 -31.45 72.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.128 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.4 m -77.09 -32.59 56.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.636 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.785 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.98 -48.07 55.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.436 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 4.5 t80 -66.72 -46.37 75.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.343 0.592 . . . . 0.0 109.843 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.66 ' CA ' HD13 ' A' ' 16' ' ' LEU . 11.4 t80 -58.04 -53.42 58.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.792 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.82 -52.07 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.644 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.3 m -57.05 -33.01 66.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.326 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.696 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -65.12 -36.02 82.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.993 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.834 ' HE2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.96 -29.77 64.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.779 179.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.6 t -45.42 125.9 6.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.443 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -60.5 -46.69 16.49 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.28 1.987 . . . . 0.0 111.718 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.659 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.2 OUTLIER -57.77 -53.09 62.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.325 179.708 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.92 ' CE1' HD21 ' A' ' 51' ' ' LEU . 12.6 t80 -58.19 -48.08 81.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.377 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -55.98 -37.08 68.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.57 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -61.61 -44.07 97.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.262 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.8 HG12 HD21 ' C' ' 53' ' ' LEU . 6.9 mt -58.61 -43.09 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.796 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.92 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -68.67 -36.93 79.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.8 m -53.66 -50.66 65.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.1 0.476 . . . . 0.0 110.014 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.818 HD21 HG12 ' C' ' 50' ' ' ILE . 0.6 OUTLIER -60.71 -45.85 92.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.705 178.778 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.624 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 3.9 mt-30 -60.65 -32.88 72.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.401 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -63.63 -40.53 97.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 t -60.77 -43.15 98.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.455 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.962 HG21 HG21 ' B' ' 131' ' ' ILE . 7.7 mt -61.58 -36.86 75.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.044 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -60.53 -38.58 84.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.742 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -63.94 -40.5 96.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.99 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -55.42 -49.06 73.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.671 179.335 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -59.73 -49.07 79.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.621 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.796 0.332 . . . . 0.0 110.636 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.857 HD11 HG22 ' B' ' 133' ' ' VAL . 0.2 OUTLIER -91.73 -165.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.84 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 1.004 HD13 ' HB3' ' C' ' 37' ' ' ALA . 69.6 tp -141.38 -45.0 0.37 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.832 0.348 . . . . 0.0 111.541 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.06 100.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.087 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.794 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -49.88 -27.51 3.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.578 -179.4 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.01 -46.09 89.29 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.276 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -77.15 -36.54 55.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.129 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.75 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.43 -29.7 63.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.607 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.46 -46.82 53.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.132 0.492 . . . . 0.0 109.849 179.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 59.7 m -61.51 -34.01 74.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.678 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . 0.811 ' C ' HD12 ' B' ' 96' ' ' ILE . 0.6 OUTLIER -62.31 -53.5 54.16 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.631 179.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.742 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.6 OUTLIER -55.02 -35.65 64.65 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -45.37 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.571 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.429 ' CE1' ' HG1' ' B' ' 99' ' ' THR . 2.3 t60 -66.86 -55.66 13.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.811 HD12 ' C ' ' B' ' 92' ' ' SER . 4.1 mt -50.86 -33.55 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.19 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.608 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.5 OUTLIER -65.18 -48.68 72.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.94 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.22 -21.64 49.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.002 0.43 . . . . 0.0 110.419 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . 0.429 ' HG1' ' CE1' ' B' ' 95' ' ' HIS . 1.4 m -84.67 -33.36 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.273 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.681 HD12 ' CG2' ' B' ' 96' ' ' ILE . 94.1 mt -108.48 79.96 1.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.79 38.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.122 -178.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.63 17.41 5.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.925 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' B' ' 106' ' ' GLN . 5.9 m 70.91 -68.2 0.22 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.783 0.325 . . . . 0.0 111.041 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -30.58 70.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.471 . . . . 0.0 109.828 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.686 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.2 OUTLIER -72.08 -47.01 54.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.748 179.52 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' B' ' 103' ' ' SER . 5.0 pt20 -61.65 -30.25 70.59 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.872 0.367 . . . . 0.0 110.232 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -71.18 -41.21 70.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.282 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.71 ' HB3' HG13 ' C' ' 15' ' ' VAL . 30.8 m-20 -70.27 -41.34 73.59 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.686 HD12 ' O ' ' B' ' 105' ' ' SER . 4.8 mt -60.23 -49.46 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.494 178.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.622 ' HA ' HD12 ' B' ' 113' ' ' LEU . 49.4 m -56.39 -34.41 66.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.605 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.502 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.69 -51.45 68.72 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.828 178.779 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.858 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.1 mt -62.82 -43.72 98.04 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' B' ' 110' ' ' SER . 5.5 mt -56.1 -40.76 74.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.782 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.97 -51.82 66.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.474 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.4 mp -60.13 -50.32 74.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.215 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.858 HG23 ' O ' ' B' ' 112' ' ' LEU . 43.3 t -59.37 -35.89 60.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.473 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -89.57 -6.38 56.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.664 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.05 151.62 42.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.553 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.12 -58.65 3.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.232 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . 0.493 ' OD2' HD13 ' D' ' 131' ' ' ILE . 0.8 OUTLIER -61.49 -47.35 86.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.961 -179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 9.8 t80 -55.59 -51.07 68.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.651 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 71.3 mt-30 -54.23 -41.19 68.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . 0.429 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.5 OUTLIER -59.65 -49.66 76.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.9 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.11 -45.02 87.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.008 0.432 . . . . 0.0 110.965 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.509 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 1.9 t80 -59.91 -38.4 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 2.8 mmtt -65.08 -38.47 90.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.71 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 1.026 HD11 HD11 ' D' ' 127' ' ' ILE . 18.5 mt -60.83 -49.46 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.123 0.487 . . . . 0.0 110.465 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.717 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.5 t-80 -66.88 -28.68 68.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.904 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.4 t30 -64.67 -60.95 2.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.39 -50.78 62.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.962 HG21 HG21 ' A' ' 57' ' ' ILE . 64.8 mt -53.75 -41.59 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 121.25 -0.18 . . . . 0.0 111.191 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.717 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -61.81 -48.66 79.63 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.737 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 129' ' ' ASN . 39.8 t -55.61 -51.22 60.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.799 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -63.47 -30.85 71.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.271 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 15.9 ttm -56.66 -54.3 47.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.899 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.912 0.387 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.768 ' O ' HG23 ' C' ' 12' ' ' VAL . 14.9 mt-10 -62.51 -54.39 40.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.5 tmmm? -59.1 -43.18 91.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.56 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.2 tpt -61.47 -49.2 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.495 ' NE2' HG23 ' C' ' 15' ' ' VAL . 30.3 tp60 -62.8 -33.19 74.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.74 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.768 HG23 ' O ' ' C' ' 8' ' ' GLU . 25.4 t -60.7 -56.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.509 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.652 HD21 HD22 ' C' ' 42' ' ' LEU . 15.6 mt -53.53 -42.4 67.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 110.365 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -28.4 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.739 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.823 ' CG1' HD21 ' B' ' 112' ' ' LEU . 3.2 t -75.13 -36.36 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.906 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.544 HD11 ' CD1' ' C' ' 42' ' ' LEU . 69.2 mt -64.29 -42.62 96.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -70.09 -44.93 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.979 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -54.52 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.269 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.755 HD12 HD11 ' B' ' 112' ' ' LEU . 65.9 mt -54.85 -56.99 13.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.429 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.74 ' HB3' HD12 ' C' ' 35' ' ' LEU . 0.2 OUTLIER -54.55 -30.29 53.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.764 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.21 -43.39 80.31 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.229 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.418 ' CB ' ' CD2' ' B' ' 100' ' ' LEU . 2.4 mmtp -59.39 -37.33 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 110.492 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.69 HD13 ' HB2' ' C' ' 31' ' ' GLN . 22.9 mt -66.37 -50.07 64.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.506 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.555 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -57.36 -27.3 62.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.324 179.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.75 -33.9 27.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.441 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -80.45 -30.65 37.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.403 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.56 20.96 3.75 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.684 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -116.44 81.89 1.7 Allowed 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.983 0.421 . . . . 0.0 110.05 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.555 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -90.12 8.67 31.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.394 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -86.74 -42.8 13.05 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.306 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.69 ' HB2' HD13 ' C' ' 23' ' ' LEU . 3.4 mp0 -72.41 -22.5 61.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.502 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.91 -38.18 75.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.452 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.74 -42.13 78.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.848 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.422 ' HG2' ' CB ' ' B' ' 92' ' ' SER . 0.0 OUTLIER -60.56 -55.07 37.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.048 178.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.1 mt -57.96 -33.7 69.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.422 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -77.12 -32.48 56.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.013 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 1.004 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.18 -42.05 66.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.431 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.729 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 7.4 t80 -71.72 -47.43 53.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.467 0.651 . . . . 0.0 109.769 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.472 ' CZ ' ' NZ ' ' C' ' 43' ' ' LYS . 80.7 t80 -53.55 -53.12 56.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.316 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.51 -52.31 65.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.971 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.817 HG22 ' CD2' ' C' ' 47' ' ' PHE . 86.6 m -59.66 -33.32 71.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 110.374 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.729 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 0.3 OUTLIER -62.67 -36.74 83.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.983 179.182 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.638 ' HE2' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -71.27 -33.32 69.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.408 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 27.9 m -45.95 124.66 6.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.162 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.46 -42.41 34.09 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.237 1.958 . . . . 0.0 111.5 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -57.82 -55.56 33.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.629 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.817 ' CD2' HG22 ' C' ' 41' ' ' THR . 10.6 t80 -60.89 -41.99 97.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.329 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -58.45 -34.99 71.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.343 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -67.48 -39.45 85.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.323 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.818 HG12 HD21 ' A' ' 53' ' ' LEU . 40.3 mt -59.73 -44.75 94.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.804 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.64 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -67.23 -36.81 82.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.329 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 73.4 m -53.99 -50.41 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.992 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.8 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -59.45 -46.31 89.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.894 178.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.482 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -60.46 -33.52 72.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.942 179.151 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -40.03 95.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.85 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.97 -48.0 83.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.739 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.902 HG21 HG21 ' D' ' 131' ' ' ILE . 6.5 mt -60.27 -35.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.048 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -61.7 -36.37 80.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.623 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.02 -39.87 90.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.775 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.8 OUTLIER -53.81 -55.11 29.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.389 179.265 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.011 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.762 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.121 0.486 . . . . 0.0 111.244 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 0.822 ' CD2' HD22 ' D' ' 89' ' ' LEU . 9.5 tp -145.46 -32.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.354 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.36 109.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.741 0.305 . . . . 0.0 110.41 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.918 HG12 HG13 ' D' ' 116' ' ' VAL . 0.8 OUTLIER -55.99 -28.76 25.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.812 -179.315 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.11 -44.97 94.18 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.347 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -34.82 50.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.839 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.822 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -72.13 -29.67 64.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.37 179.287 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 13.6 t80 -72.29 -50.25 28.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.941 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 35.7 m -62.03 -30.17 70.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.642 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -62.77 -52.13 64.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.354 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.759 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.7 OUTLIER -57.24 -36.89 71.5 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.488 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -59.92 -38.46 82.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.826 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -71.27 -50.47 32.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.486 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.653 HG23 HD21 ' A' ' 23' ' ' LEU . 10.2 mt -55.75 -39.72 57.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.09 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.899 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.72 -50.97 68.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.99 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -80.99 -1.37 43.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.541 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.5 m -100.7 -33.86 10.1 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.752 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.977 HD12 HD11 ' D' ' 109' ' ' ILE . 36.4 mt -87.91 -51.78 5.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.31 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.35 36.09 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.812 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.3 OUTLIER -99.84 23.17 10.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.765 179.661 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.73 -72.02 0.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.749 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -59.74 -31.27 69.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.032 0.444 . . . . 0.0 109.876 179.338 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.74 ' OG ' HD13 ' D' ' 100' ' ' LEU . 0.6 OUTLIER -69.86 -40.82 75.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.445 179.429 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -32.26 73.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.075 0.464 . . . . 0.0 110.129 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -71.05 -40.78 71.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.417 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.775 ' CG ' HG22 ' A' ' 15' ' ' VAL . 70.4 m-20 -70.65 -44.43 67.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.802 0.811 . . . . 0.0 108.813 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.977 HD11 HD12 ' D' ' 100' ' ' LEU . 6.3 mt -60.43 -49.07 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.73 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.656 ' HA ' HD12 ' D' ' 113' ' ' LEU . 7.8 m -57.56 -34.06 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.353 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.65 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -59.39 -51.42 70.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.1 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.882 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.9 mt -61.67 -43.34 99.05 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' D' ' 110' ' ' SER . 6.1 mt -55.22 -50.3 69.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.489 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . 0.414 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 6.8 mt-30 -61.32 -44.26 97.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.396 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.746 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.6 mp -60.11 -37.98 81.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.966 179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.918 HG13 HG12 ' D' ' 86' ' ' ILE . 83.2 t -69.24 -53.73 23.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.625 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -63.21 -18.89 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.793 -179.326 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' D' ' 115' ' ' LEU . 2.6 m120 -53.15 114.3 1.42 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.789 0.328 . . . . 0.0 110.534 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . 0.488 ' HG2' ' N ' ' D' ' 120' ' ' ASP . 0.0 OUTLIER -47.99 -47.51 33.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.934 -179.143 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . 0.488 ' N ' ' HG2' ' D' ' 119' ' ' LYS . 0.9 OUTLIER -65.94 -50.66 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.111 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 2.9 t80 -59.58 -44.86 93.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.03 0.443 . . . . 0.0 110.288 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 7.9 tt0 -55.96 -41.7 75.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.235 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.476 ' HB3' HG12 ' B' ' 127' ' ' ILE . 21.9 m120 -64.81 -42.46 94.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.766 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.867 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -57.55 -49.23 77.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.086 0.47 . . . . 0.0 110.864 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.562 ' CG ' HD12 ' D' ' 86' ' ' ILE . 11.4 t80 -59.37 -37.44 77.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.988 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 5.7 mmpt? -63.92 -36.22 83.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.665 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 1.026 HD11 HD11 ' B' ' 127' ' ' ILE . 15.4 mt -64.66 -49.37 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.656 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.645 ' O ' ' HB ' ' D' ' 132' ' ' THR . 21.0 t-80 -64.08 -50.16 69.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.805 ' O ' HG23 ' D' ' 133' ' ' VAL . 63.1 t-20 -55.59 -58.7 6.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.723 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.75 -52.16 66.9 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.902 HG21 HG21 ' C' ' 57' ' ' ILE . 60.9 mt -59.59 -43.41 90.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.234 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.762 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -62.62 -46.69 87.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.106 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.805 HG23 ' O ' ' D' ' 129' ' ' ASN . 92.0 t -58.08 -48.05 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.096 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -63.16 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.011 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 4.9 ttm . . . . . 0 C--N 1.332 -0.163 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.349 179.473 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.825 0.345 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.709 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.0 mt-10 -64.75 -56.83 11.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.2 tmmm? -61.06 -43.82 98.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.603 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 tpt -61.6 -46.91 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.507 ' O ' HG23 ' A' ' 15' ' ' VAL . 28.6 tp60 -62.73 -38.76 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 8' ' ' GLU . 17.7 t -54.92 -54.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.524 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.791 ' HA ' HD12 ' A' ' 16' ' ' LEU . 14.5 mt -53.93 -45.11 71.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.287 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -28.72 68.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.979 178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.761 HG13 ' HB3' ' D' ' 108' ' ' ASP . 10.7 t -73.31 -37.73 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.895 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 13' ' ' LEU . 12.3 mt -64.3 -43.14 95.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.138 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -72.18 -33.08 67.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -53.66 13.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.713 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.705 HD12 HD11 ' D' ' 112' ' ' LEU . 85.4 mt -55.44 -57.19 12.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 0.0 110.622 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.837 ' HA ' HD12 ' A' ' 23' ' ' LEU . 2.1 ppt_? -56.24 -35.07 66.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.823 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 24' ' ' GLN . . . -61.68 -43.82 98.74 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.489 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.638 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.0 OUTLIER -64.33 -34.88 79.17 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.283 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 20' ' ' ARG . 14.8 mt -68.57 -50.09 54.48 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.275 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -57.76 -26.99 62.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.188 179.437 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 4.2 mm-40 -82.51 -32.09 28.91 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.165 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.1 OUTLIER -77.19 -39.03 50.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.08 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.79 -4.3 5.75 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.721 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.496 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 86.1 m-20 -100.49 80.06 2.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.327 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.73 5.91 33.97 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.144 0.497 . . . . 0.0 110.005 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.9 m -69.05 -54.18 16.46 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.45 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.453 ' HB3' HD11 ' D' ' 96' ' ' ILE . 3.4 mp0 -71.63 -23.99 61.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.144 179.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -54.23 -46.36 72.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.346 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -32.83 66.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.176 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.495 ' O ' HD13 ' D' ' 84' ' ' LEU . 4.3 mmmm -66.03 -47.45 74.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.212 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.694 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.2 mt -61.46 -30.9 70.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.489 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -76.53 -31.88 57.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.868 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.9 -48.56 44.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.485 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.948 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 5.5 t80 -69.15 -40.71 78.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.194 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.639 ' HA ' HD13 ' A' ' 16' ' ' LEU . 2.0 t80 -58.9 -53.38 59.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.776 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -59.32 -38.71 80.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.557 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.543 HG22 ' CZ ' ' A' ' 47' ' ' PHE . 91.7 m -63.08 -45.85 90.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.514 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.948 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 6.2 mt -60.2 -32.58 71.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.207 0.527 . . . . 0.0 110.396 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.461 ' CD ' ' CE1' ' A' ' 39' ' ' TYR . 23.0 mtpt -77.63 -29.9 52.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.663 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 47' ' ' PHE . 49.2 m -45.43 142.21 3.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.329 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -62.52 -64.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.54 2.16 . . . . 0.0 112.87 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.9 HD13 HG12 ' C' ' 57' ' ' ILE . 0.3 OUTLIER -57.35 -34.36 68.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.722 -179.783 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.543 ' CZ ' HG22 ' A' ' 41' ' ' THR . 31.9 t80 -63.28 -47.35 82.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.115 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -55.55 -35.56 65.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.903 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -64.65 -40.17 94.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.289 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.741 HG12 HD21 ' C' ' 53' ' ' LEU . 1.9 mt -62.98 -44.67 99.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.752 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.562 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -70.68 -43.2 69.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.55 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.8 m -54.92 -45.87 74.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.39 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.803 HD21 HG12 ' C' ' 50' ' ' ILE . 1.1 tt -62.29 -47.71 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.287 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.628 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.3 OUTLIER -58.72 -42.57 89.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.752 179.521 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -33.3 74.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.396 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.77 -42.31 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.764 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.718 HG21 HG21 ' B' ' 131' ' ' ILE . 2.4 mt -61.15 -44.0 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.152 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -55.13 -44.32 74.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.259 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -58.92 -41.12 86.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.093 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.683 HD13 HD21 ' C' ' 46' ' ' LEU . 1.6 mt -61.54 -41.46 97.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.615 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HZ3' HG23 ' B' ' 131' ' ' ILE . 0.1 OUTLIER -59.27 -43.3 92.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.983 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.52 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 120.814 0.34 . . . . 0.0 110.148 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.939 HG21 ' HA ' ' B' ' 129' ' ' ASN . 0.2 OUTLIER -84.85 -172.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.033 -179.713 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' B' ' 89' ' ' LEU . 2.2 pt? -165.95 21.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.562 ' O ' ' O ' ' B' ' 84' ' ' LEU . 2.1 mm-40 44.44 113.16 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.95 0.405 . . . . 0.0 111.869 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.93 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -51.51 -27.42 7.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -42.25 99.2 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.059 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.79 -40.61 40.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.701 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.765 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.2 OUTLIER -73.16 -28.18 62.08 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.639 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 18.6 t80 -69.37 -48.26 61.81 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 25.0 t -64.38 -29.34 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -50.62 68.38 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.522 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.805 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.7 OUTLIER -59.15 -37.82 78.23 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.89 0.376 . . . . 0.0 110.029 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.71 -38.87 82.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.839 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.487 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 0.2 OUTLIER -72.06 -46.28 57.54 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.284 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.805 HD12 ' HA ' ' B' ' 93' ' ' LEU . 19.4 mt -54.63 -44.81 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.863 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.933 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -58.42 -48.47 80.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.505 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.24 -0.96 51.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.015 0.436 . . . . 0.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . 0.494 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 2.8 m -100.42 -31.24 11.4 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.427 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.706 HD12 HD11 ' B' ' 109' ' ' ILE . 26.3 mt -92.51 -49.7 5.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.212 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.85 34.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.716 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' B' ' 104' ' ' GLN . 11.1 m-20 -96.96 19.93 11.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.79 -70.85 0.1 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.65 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -59.42 -29.16 67.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.041 0.448 . . . . 0.0 110.013 179.202 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.825 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -70.7 -42.94 69.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.642 179.505 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -35.73 79.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.402 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.75 -40.93 75.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.724 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.783 ' CG ' HG22 ' C' ' 15' ' ' VAL . 50.1 m-20 -70.56 -43.17 70.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.768 0.794 . . . . 0.0 108.951 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.933 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.0 mt -59.7 -49.13 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.504 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.584 ' HA ' HD12 ' B' ' 113' ' ' LEU . 6.0 t -56.07 -35.69 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.913 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.728 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.67 -51.33 69.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.958 178.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.814 HD21 ' CG1' ' C' ' 15' ' ' VAL . 1.6 mt -63.51 -39.51 94.61 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.639 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.2 mt -60.31 -39.63 87.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.441 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -52.33 64.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.568 ' CD2' HG21 ' C' ' 12' ' ' VAL . 0.8 OUTLIER -60.98 -50.62 72.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.276 0.56 . . . . 0.0 109.8 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.93 HG13 HG12 ' B' ' 86' ' ' ILE . 73.9 t -53.7 -36.04 28.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.513 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 53.0 mt-30 -90.91 -9.97 44.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.32 130.21 45.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.782 0.325 . . . . 0.0 110.418 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -58.91 4.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.653 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.75 -49.8 73.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.189 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.491 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.4 t80 -55.46 -56.1 24.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.34 . . . . 0.0 110.679 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -51.67 -37.12 49.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . 0.492 ' HB3' HG12 ' D' ' 127' ' ' ILE . 3.7 m-20 -62.04 -51.86 66.3 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.771 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.592 ' HB2' ' NE2' ' C' ' 54' ' ' GLN . . . -56.89 -49.31 75.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.241 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.607 ' HB3' HD12 ' B' ' 86' ' ' ILE . 40.1 t80 -53.06 -39.91 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.14 -37.26 80.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.57 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.694 ' CD1' HD11 ' D' ' 127' ' ' ILE . 14.8 mt -67.26 -49.91 67.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.003 0.43 . . . . 0.0 110.646 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.781 ' O ' ' HB ' ' B' ' 132' ' ' THR . 27.4 t-80 -68.59 -27.71 66.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.905 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.939 ' HA ' HG21 ' B' ' 83' ' ' ILE . 0.9 OUTLIER -67.43 -60.86 2.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.222 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.57 -49.34 71.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.718 HG21 HG21 ' A' ' 57' ' ' ILE . 62.7 mt -56.74 -43.1 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.452 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.781 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.3 OUTLIER -61.21 -49.25 77.9 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.331 0.586 . . . . 0.0 109.56 179.022 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.928 HG23 ' O ' ' B' ' 129' ' ' ASN . 58.4 t -52.79 -48.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.385 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.9 -32.09 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.4 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 29.5 ttm -56.75 -57.25 13.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.844 ' O ' HG23 ' C' ' 12' ' ' VAL . 44.9 mt-10 -63.5 -54.51 35.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.701 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.486 ' HE2' HD11 ' C' ' 13' ' ' LEU . 1.3 tmtt? -54.74 -41.68 70.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.711 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.7 tpt -61.49 -47.76 84.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.121 0.486 . . . . 0.0 109.723 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.496 ' NE2' HG23 ' C' ' 15' ' ' VAL . 32.7 tp60 -65.36 -30.98 71.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.809 178.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.844 HG23 ' O ' ' C' ' 8' ' ' GLU . 74.2 t -62.55 -53.73 43.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.63 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.69 HD13 ' HE2' ' C' ' 43' ' ' LYS . 20.2 mt -56.64 -43.92 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.72 68.45 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.814 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.1 t -73.12 -38.61 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.837 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.665 HD21 ' HD2' ' C' ' 38' ' ' PHE . 19.7 mt -64.45 -35.39 80.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.533 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -43.9 69.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.845 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -63.65 -54.77 30.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.032 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.575 HD22 HD12 ' B' ' 100' ' ' LEU . 84.9 mt -53.19 -53.69 46.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.995 0.426 . . . . 0.0 110.265 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.447 ' HD2' ' CB ' ' C' ' 32' ' ' ASN . 0.6 OUTLIER -49.62 -42.44 44.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.947 179.577 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.62 93.03 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.108 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.528 ' HB3' HD22 ' B' ' 100' ' ' LEU . 12.9 mmtt -60.2 -40.23 89.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.696 0.284 . . . . 0.0 110.997 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.687 HD23 HD21 ' B' ' 100' ' ' LEU . 19.1 mt -61.88 -50.84 70.6 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 120.876 0.369 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.48 -26.64 66.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.163 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.22 -31.34 30.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.839 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.404 ' HE2' ' HA ' ' B' ' 100' ' ' LEU . 2.2 mptt -86.53 -34.78 19.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.441 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.32 -18.39 8.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.681 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 35.5 m-20 -70.96 76.61 0.65 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.99 0.424 . . . . 0.0 110.076 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.62 14.15 8.94 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.985 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 91.8 m -82.62 -35.97 26.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.647 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.561 ' HB2' HD13 ' C' ' 23' ' ' LEU . 0.6 OUTLIER -86.94 -26.41 23.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.336 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . 0.447 ' CB ' ' HD2' ' C' ' 20' ' ' ARG . 2.4 m120 -45.96 -50.95 14.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.975 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -33.28 67.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.08 0.467 . . . . 0.0 110.178 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.435 ' O ' HD13 ' B' ' 84' ' ' LEU . 7.8 mmmm -68.17 -49.6 59.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.171 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.572 ' N ' HD23 ' C' ' 35' ' ' LEU . 2.2 mt -57.91 -29.46 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.803 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 39.9 m -73.58 -38.95 65.0 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.245 0.545 . . . . 0.0 109.793 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' B' ' 84' ' ' LEU . . . -69.51 -47.79 62.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.398 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.665 ' HD2' HD21 ' C' ' 16' ' ' LEU . 2.1 t80 -63.83 -37.01 85.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.002 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.481 ' HA ' HD13 ' C' ' 16' ' ' LEU . 87.7 t80 -70.15 -54.0 14.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.795 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.3 -50.53 71.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.568 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.721 HG22 ' CD2' ' C' ' 47' ' ' PHE . 91.4 m -53.09 -41.78 65.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.338 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.559 HD12 ' O ' ' C' ' 38' ' ' PHE . 0.3 OUTLIER -60.54 -37.09 80.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.876 179.224 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.69 ' HE2' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -75.07 -28.55 60.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.123 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.3 m -45.74 146.51 1.88 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.557 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.21 -48.04 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.598 2.199 . . . . 0.0 112.531 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.683 HD21 HD13 ' A' ' 60' ' ' LEU . 3.1 mm? -57.88 -55.49 34.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.721 ' CD2' HG22 ' C' ' 41' ' ' THR . 4.9 t80 -53.8 -46.58 71.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -55.63 -40.48 72.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.605 ' HB3' HD12 ' A' ' 53' ' ' LEU . 44.7 mt-30 -62.15 -41.96 98.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.1 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.803 HG12 HD21 ' A' ' 53' ' ' LEU . 25.7 mt -60.88 -53.0 55.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.758 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.703 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.5 OUTLIER -58.56 -38.23 77.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.261 179.663 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 85.5 m -53.58 -44.84 69.67 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.741 HD21 HG12 ' A' ' 50' ' ' ILE . 1.1 tp -61.67 -38.4 87.64 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.84 178.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.592 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 4.2 mm-40 -64.76 -38.52 91.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.891 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -59.23 -40.48 86.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.309 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -61.74 -53.31 57.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.19 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.9 HG12 HD13 ' A' ' 46' ' ' LEU . 29.3 mt -63.22 -34.83 69.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.49 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -42.46 99.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.048 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.99 -39.64 92.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.998 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.0 OUTLIER -54.89 -60.49 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.619 179.448 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . 0.447 ' CE ' HG23 ' D' ' 131' ' ' ILE . 4.9 mtpt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.19 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.702 HG21 ' HA ' ' D' ' 129' ' ' ASN . 1.2 pt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.562 0.22 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 0.681 HD23 ' HZ ' ' D' ' 125' ' ' PHE . 1.9 pt? -158.59 -2.32 0.09 Allowed 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.1 OUTLIER 58.89 143.16 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.983 0.42 . . . . 0.0 111.368 179.369 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.811 HG23 ' CG1' ' D' ' 116' ' ' VAL . 1.0 OUTLIER -70.37 -34.06 56.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.536 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -44.65 96.6 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.878 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.04 -40.95 52.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.808 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.75 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -73.28 -27.39 61.53 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.714 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.4 t80 -69.34 -48.17 62.2 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 9.8 m -64.62 -30.26 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 32.1 m -63.61 -51.64 64.36 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.637 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.783 ' HA ' HD12 ' D' ' 96' ' ' ILE . 0.9 OUTLIER -56.98 -39.22 74.22 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.68 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . 0.415 ' CE ' ' HA ' ' D' ' 94' ' ' LYS . 0.0 OUTLIER -59.32 -37.31 77.45 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . 0.419 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 1.1 t60 -70.86 -51.44 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' D' ' 93' ' ' LEU . 10.6 mt -52.81 -39.95 33.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.895 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.881 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.63 -49.33 75.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.778 179.646 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -83.12 -1.24 52.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.551 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . 0.403 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.6 m -101.2 -32.53 10.49 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.884 HD12 HD11 ' D' ' 109' ' ' ILE . 72.8 mt -92.24 -51.67 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.275 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.02 34.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.667 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -95.09 20.22 9.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.936 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 16.0 m 67.11 -70.16 0.12 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.103 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -33.45 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.19 0.519 . . . . 0.0 110.115 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.721 ' O ' HD12 ' D' ' 109' ' ' ILE . 87.7 p -70.7 -37.12 73.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.674 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.21 -37.41 87.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.389 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -39.72 75.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.29 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.761 ' HB3' HG13 ' A' ' 15' ' ' VAL . 5.6 m-20 -70.63 -41.79 71.75 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.884 HD11 HD12 ' D' ' 100' ' ' LEU . 5.8 mt -60.24 -49.34 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.089 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.573 ' HA ' HD12 ' D' ' 113' ' ' LEU . 11.9 p -56.12 -35.43 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.778 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.531 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.9 -51.18 70.13 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.964 178.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.829 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.3 mt -63.57 -41.58 98.37 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 178.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.669 ' CD1' HG22 ' D' ' 109' ' ' ILE . 4.8 mt -57.76 -42.11 83.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.786 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.91 -50.06 73.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.007 0.432 . . . . 0.0 110.546 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.483 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.7 mp -60.97 -51.89 67.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.006 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.829 HG23 ' O ' ' D' ' 112' ' ' LEU . 51.7 t -57.16 -30.19 34.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.65 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.447 ' NE2' ' CE1' ' D' ' 90' ' ' PHE . 73.9 mt-30 -94.62 -9.38 35.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.58 153.48 39.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.699 0.285 . . . . 0.0 110.361 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -59.07 2.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 111.362 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -48.35 81.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.935 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 7.5 t80 -55.97 -55.3 34.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.566 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 2.3 mt-30 -49.7 -37.79 30.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.472 ' HB3' ' CD1' ' B' ' 127' ' ' ILE . 30.0 m-20 -64.2 -42.92 96.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.187 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.628 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -60.86 -49.38 77.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.743 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.681 ' HZ ' HD23 ' D' ' 84' ' ' LEU . 10.5 t80 -65.12 -35.93 82.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.347 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 7.7 mmtm -62.56 -38.26 89.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.36 . . . . 0.0 110.677 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 0.694 HD11 ' CD1' ' B' ' 127' ' ' ILE . 56.4 mt -67.78 -49.67 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.69 ' O ' ' HB ' ' D' ' 132' ' ' THR . 23.7 t-80 -64.27 -47.3 80.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.877 ' O ' HG23 ' D' ' 133' ' ' VAL . 3.4 t30 -54.91 -60.61 3.13 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.78 -52.26 65.84 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.882 HG21 HG21 ' C' ' 57' ' ' ILE . 68.5 mt -56.91 -43.1 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.217 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.69 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -60.69 -46.83 88.87 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.089 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.877 HG23 ' O ' ' D' ' 129' ' ' ASN . 75.5 t -55.65 -43.71 74.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.599 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -63.31 -31.21 72.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.034 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 4.1 ttm . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.514 179.57 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.767 0.317 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.2 mm-40 -65.51 -39.19 91.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -62.23 -48.18 81.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.091 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.484 ' CE ' HD12 ' A' ' 13' ' ' LEU . 4.7 tpt -61.99 -45.05 95.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.676 ' NE2' HG21 ' A' ' 15' ' ' VAL . 6.4 tm0? -61.44 -35.44 77.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.536 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 8' ' ' GLU . 12.9 t -61.16 -47.61 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.547 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.716 ' HA ' HD12 ' A' ' 16' ' ' LEU . 13.9 mt -58.47 -44.55 89.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.263 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -28.64 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.165 0.507 . . . . 0.0 109.763 178.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.81 ' CG1' HD21 ' D' ' 112' ' ' LEU . 3.2 t -73.61 -39.86 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.055 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.716 HD12 ' HA ' ' A' ' 13' ' ' LEU . 12.8 mt -62.72 -40.6 97.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.526 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.58 -42.63 64.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.863 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -61.23 -54.7 40.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.669 HD22 HD12 ' D' ' 100' ' ' LEU . 90.1 mt -53.58 -52.69 58.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.947 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.559 ' CA ' HD12 ' A' ' 35' ' ' LEU . 4.2 tmm_? -48.87 -46.43 42.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.149 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.91 -43.56 92.63 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.173 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.661 ' HB3' HD22 ' D' ' 100' ' ' LEU . 3.3 mttm -65.76 -32.06 73.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.579 0.228 . . . . 0.0 111.397 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.769 HD23 HD21 ' D' ' 100' ' ' LEU . 20.8 mt -71.21 -50.75 29.75 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.126 0.489 . . . . 0.0 110.675 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -26.81 67.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.173 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -82.85 -34.6 26.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.459 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 1.8 mptt -80.03 -29.96 39.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.391 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.0 21.59 3.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.46 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 39.4 m-20 -116.89 78.93 1.26 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.125 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.61 7.67 38.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.334 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.4 m -79.1 -53.58 6.86 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.162 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.652 ' HB3' HD11 ' D' ' 96' ' ' ILE . 3.3 mp0 -68.81 -13.37 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.483 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.459 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -55.04 -47.7 74.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -39.71 74.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.068 0.461 . . . . 0.0 110.086 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -57.18 -55.04 39.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.287 179.11 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.699 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.4 mt -58.94 -33.25 70.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.194 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m -76.75 -33.29 58.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.173 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.069 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -74.18 -43.38 57.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.806 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.803 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 3.1 t80 -71.47 -45.08 63.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.196 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.667 ' HA ' HD13 ' A' ' 16' ' ' LEU . 49.3 t80 -55.35 -53.16 59.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.984 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.64 -48.38 81.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.456 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 95.2 m -57.24 -42.72 81.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.803 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 5.0 mt -60.87 -35.55 76.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.126 0.489 . . . . 0.0 110.206 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 18.3 mtpt -76.77 -32.66 57.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.402 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 34.1 t -42.58 128.48 2.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.553 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 32.5 Cg_exo -58.53 -53.49 3.94 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.478 2.119 . . . . 0.0 112.09 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.731 HD11 HD11 ' C' ' 57' ' ' ILE . 0.6 OUTLIER -57.93 -49.11 77.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.31 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.949 ' CE1' HD21 ' A' ' 51' ' ' LEU . 31.2 t80 -57.78 -44.85 86.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -55.92 -35.08 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.163 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.403 HE21 HD12 ' C' ' 53' ' ' LEU . 4.4 tt0 -66.06 -40.72 91.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.153 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.698 HG12 HD21 ' C' ' 53' ' ' LEU . 3.3 mt -59.55 -47.08 92.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.571 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.949 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -65.11 -43.31 92.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.08 179.35 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.3 m -56.0 -35.03 66.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.27 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.853 HD21 HG12 ' C' ' 50' ' ' ILE . 0.6 OUTLIER -66.46 -51.03 61.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.043 179.347 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.756 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.1 OUTLIER -59.05 -42.35 90.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.165 179.318 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -34.6 73.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.173 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.512 ' O ' HD23 ' A' ' 60' ' ' LEU . 55.8 m -65.46 -39.47 92.03 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.918 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.655 ' CD1' HD11 ' C' ' 46' ' ' LEU . 3.0 mt -59.34 -46.2 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.092 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 5.4 mttt -63.91 -30.31 71.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.106 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -57.73 11.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.959 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.547 HD21 ' HA ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -72.25 -27.51 62.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.049 0.452 . . . . 0.0 110.438 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . 24.3 mtmt -54.54 -39.76 68.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.995 0.426 . . . . 0.0 110.302 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.834 179.873 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.721 0.296 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.819 HD11 HG22 ' B' ' 133' ' ' VAL . 0.1 OUTLIER -87.3 -160.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.636 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.819 ' CD2' HD22 ' B' ' 89' ' ' LEU . 4.9 tp -160.44 -37.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.701 0.286 . . . . 0.0 111.293 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.36 112.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.722 0.296 . . . . 0.0 110.538 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.896 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -54.74 -26.77 17.37 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.695 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -63.07 -49.83 72.98 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.161 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -33.39 60.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.157 0.503 . . . . 0.0 109.657 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.819 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.86 -30.02 65.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.391 179.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.1 t80 -71.62 -50.91 26.33 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.843 179.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 5.8 m -60.13 -31.85 70.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.665 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . 0.815 ' O ' HD12 ' B' ' 96' ' ' ILE . 0.4 OUTLIER -61.35 -53.01 62.16 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.382 179.354 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.718 HD21 HD12 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -56.33 -35.31 67.45 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.387 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' B' ' 90' ' ' PHE . 11.2 mmmm -58.68 -44.83 90.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.704 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -66.64 -55.73 13.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.815 HD12 ' O ' ' B' ' 92' ' ' SER . 4.1 mt -51.19 -33.84 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.109 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.585 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -65.73 -49.39 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.801 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -77.1 -20.47 55.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.436 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -84.38 -35.44 23.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.072 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.676 HD12 HD11 ' B' ' 109' ' ' ILE . 85.3 mt -103.39 83.3 2.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.88 36.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.238 -178.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.72 16.34 10.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.034 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . 0.41 ' HA ' ' HG3' ' B' ' 106' ' ' GLN . 1.1 t 69.03 -68.18 0.19 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.203 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -56.61 -37.62 70.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.03 0.443 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.775 ' O ' HD12 ' B' ' 109' ' ' ILE . 1.4 m -66.31 -38.14 87.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.738 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . 0.41 ' HG3' ' HA ' ' B' ' 103' ' ' SER . 0.4 OUTLIER -63.93 -33.72 76.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.061 0.458 . . . . 0.0 110.072 179.536 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.14 -41.05 77.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.631 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.751 ' CG ' HG22 ' C' ' 15' ' ' VAL . 48.2 m-20 -70.3 -42.85 71.48 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.775 HD12 ' O ' ' B' ' 105' ' ' SER . 4.8 mt -59.91 -49.4 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.569 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.651 ' HA ' HD12 ' B' ' 113' ' ' LEU . 37.6 t -56.85 -34.44 67.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.795 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.635 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.68 -51.48 68.62 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.769 178.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.876 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.0 mt -62.76 -44.21 96.78 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' B' ' 110' ' ' SER . 8.1 mt -55.17 -40.9 71.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.807 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -61.9 -52.22 64.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.659 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' C' ' 12' ' ' VAL . 0.8 OUTLIER -61.15 -48.84 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.313 0.578 . . . . 0.0 110.077 179.377 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.896 HG13 HG12 ' B' ' 86' ' ' ILE . 52.2 t -58.39 -36.17 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.711 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 74.5 mt-30 -89.14 -9.93 49.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -62.1 134.68 56.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.831 0.348 . . . . 0.0 110.499 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -58.48 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.411 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.88 -50.1 75.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 111.039 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.1 t80 -55.77 -48.96 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.732 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.87 -38.17 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . 0.462 ' O ' HG13 ' B' ' 127' ' ' ILE . 60.0 m-20 -66.56 -51.22 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.793 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -56.52 -49.15 75.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.39 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.615 ' CD1' HD12 ' B' ' 86' ' ' ILE . 12.0 t80 -58.65 -39.13 79.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.013 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -38.18 86.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.451 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 1.138 HD11 HD11 ' D' ' 127' ' ' ILE . 20.7 mt -62.32 -49.71 82.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.77 ' O ' ' HB ' ' B' ' 132' ' ' THR . 13.2 t-80 -65.06 -30.25 71.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.156 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.872 ' O ' HG23 ' B' ' 133' ' ' VAL . 35.1 t-20 -64.72 -61.31 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.12 -51.76 54.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.732 HD12 HG22 ' B' ' 127' ' ' ILE . 36.7 mt -53.87 -39.1 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.282 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.77 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.3 OUTLIER -63.81 -46.65 84.18 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.202 0.525 . . . . 0.0 109.603 178.672 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 129' ' ' ASN . 42.5 t -52.59 -48.19 47.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.68 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -31.04 72.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.983 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . 0.408 ' HG3' ' HG2' ' A' ' 61' ' ' LYS . 23.9 ttm -57.7 -61.74 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.926 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 -179.886 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.764 0.316 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.844 ' O ' HG23 ' C' ' 12' ' ' VAL . 14.3 mt-10 -64.06 -58.07 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.733 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.828 ' HE2' HD11 ' C' ' 13' ' ' LEU . 2.1 tmtt? -58.4 -42.57 87.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.528 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -45.2 95.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.139 0.495 . . . . 0.0 109.682 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.534 ' NE2' HG23 ' C' ' 15' ' ' VAL . 30.4 tp60 -66.69 -33.17 75.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.595 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.844 HG23 ' O ' ' C' ' 8' ' ' GLU . 55.5 t -59.74 -55.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.573 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.905 ' HA ' HD12 ' C' ' 16' ' ' LEU . 19.7 mt -55.16 -45.4 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.042 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -28.31 68.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.593 178.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.776 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.2 t -74.24 -37.75 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.99 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.905 HD12 ' HA ' ' C' ' 13' ' ' LEU . 8.3 mt -64.09 -40.17 95.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -70.23 -42.0 72.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.56 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -64.28 -54.16 37.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.717 HD12 HD11 ' B' ' 112' ' ' LEU . 62.3 mt -53.89 -57.46 10.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.731 ' N ' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -55.78 -30.04 60.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.76 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.58 -44.89 91.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.913 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.414 ' HB3' ' CD2' ' B' ' 100' ' ' LEU . 6.8 mttm -62.93 -39.95 96.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.788 0.328 . . . . 0.0 110.661 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.63 HD21 HG23 ' B' ' 96' ' ' ILE . 27.3 mt -60.11 -50.45 73.63 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.471 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -60.46 -28.35 68.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.131 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.6 -31.98 28.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.677 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.87 -29.65 29.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.229 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.99 19.82 3.9 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.695 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -113.39 82.32 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.955 0.407 . . . . 0.0 110.115 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.471 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -95.2 30.26 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.841 179.716 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 20.5 m -102.97 -40.71 6.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.769 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.685 ' HB3' HD11 ' B' ' 96' ' ' ILE . 1.1 mm-40 -85.98 -25.22 26.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.36 -37.76 38.84 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.352 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -65.29 -32.84 74.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.164 0.507 . . . . 0.0 110.028 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -70.84 -45.62 64.19 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.731 HD12 ' N ' ' C' ' 20' ' ' ARG . 1.4 mt -59.33 -32.71 70.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.149 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 48.8 m -75.67 -32.1 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.726 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.75 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -68.76 -48.23 64.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.405 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.768 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 3.8 t80 -68.08 -46.05 72.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.851 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.691 ' HA ' HD13 ' C' ' 16' ' ' LEU . 21.5 t80 -53.86 -53.42 52.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.113 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.0 -50.83 72.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.64 HG22 ' CD2' ' C' ' 47' ' ' PHE . 89.6 m -54.52 -36.97 64.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.466 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.768 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 3.4 mt -67.99 -29.53 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.166 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.781 ' HE2' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -71.29 -32.65 68.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.531 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 30.8 m -53.22 132.41 51.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.223 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.66 -32.16 12.27 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.529 2.152 . . . . 0.0 112.126 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.655 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -64.53 -55.3 21.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.116 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.779 ' CE1' HD21 ' C' ' 51' ' ' LEU . 11.7 t80 -55.81 -42.78 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.314 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -41.86 75.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.704 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.92 -41.52 96.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.479 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.853 HG12 HD21 ' A' ' 53' ' ' LEU . 9.4 mt -59.05 -46.3 91.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.899 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.779 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.14 -36.61 83.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.426 179.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.1 m -53.99 -50.26 66.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.179 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.698 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -60.38 -44.93 95.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.906 178.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.622 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -59.11 -33.9 71.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.072 179.249 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -37.61 85.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.099 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -60.38 -50.36 73.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.069 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.788 ' CG2' HG21 ' D' ' 131' ' ' ILE . 56.5 mt -59.91 -34.71 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.118 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -57.81 -43.84 85.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.062 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -63.32 -40.19 96.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.24 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' C' ' 57' ' ' ILE . 2.6 mt -53.79 -47.04 71.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.764 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . 0.427 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 8.1 mtpt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.713 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.2 OUTLIER . . . . . 0 CA--C 1.522 -0.13 0 CA-C-O 120.821 0.343 . . . . 0.0 110.837 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 1.069 HD13 ' HB3' ' A' ' 37' ' ' ALA . 31.3 tp 74.87 -51.44 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.721 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 61.37 112.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 1.002 HG12 HG13 ' D' ' 116' ' ' VAL . 1.0 OUTLIER -55.22 -25.74 17.29 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.071 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.69 -46.17 86.69 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.359 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.12 -34.63 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.84 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.736 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.11 -29.69 64.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.233 179.401 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 42.3 t80 -72.57 -50.19 27.21 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.107 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -61.3 -31.09 70.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.619 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . 0.417 ' CB ' ' HG2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -64.1 -51.62 63.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.758 179.467 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.762 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.8 OUTLIER -55.81 -37.81 69.15 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . 0.401 ' NZ ' HD22 ' D' ' 113' ' ' LEU . 4.9 mmtt -59.35 -41.79 90.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.6 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.58 -53.63 26.63 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.766 HG23 HD21 ' A' ' 23' ' ' LEU . 9.5 mt -51.03 -41.05 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.81 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.856 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -60.46 -53.16 60.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.039 179.693 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -80.03 -2.97 46.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.02 0.438 . . . . 0.0 110.48 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . 0.435 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.6 m -97.1 -33.61 11.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.618 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.769 HD21 HD23 ' A' ' 23' ' ' LEU . 13.5 mt -87.16 -48.95 7.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.852 0.358 . . . . 0.0 110.433 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . 0.4 ' HA ' ' OE1' ' D' ' 106' ' ' GLN . 0.0 OUTLIER 41.12 35.8 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.759 179.248 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . 0.406 ' HB2' ' HB2' ' D' ' 105' ' ' SER . 0.2 OUTLIER -98.65 19.05 15.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.654 179.623 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 27.2 t 66.21 -70.92 0.1 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' D' ' 105' ' ' SER . 0.0 OUTLIER -61.74 -30.15 70.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.061 0.458 . . . . 0.0 109.944 179.595 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.804 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.6 OUTLIER -70.46 -39.91 73.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.974 179.226 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' D' ' 101' ' ' VAL . 0.8 OUTLIER -62.93 -33.62 75.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.165 0.507 . . . . 0.0 109.803 179.275 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.57 -42.89 73.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.851 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.725 ' HB3' HG13 ' A' ' 15' ' ' VAL . 17.1 m-20 -70.94 -40.76 71.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.856 HD13 ' HA ' ' D' ' 97' ' ' GLN . 4.9 mt -61.75 -49.21 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.263 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.659 ' HA ' HD12 ' D' ' 113' ' ' LEU . 16.1 m -55.98 -36.12 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.061 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.465 HD23 HG22 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -58.02 -51.33 70.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.229 179.064 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.865 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 mt -60.24 -42.61 95.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' D' ' 110' ' ' SER . 3.9 mt -57.43 -49.88 74.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.631 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.99 -42.47 98.46 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.261 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.753 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.9 mp -61.88 -41.42 97.85 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 1.002 HG13 HG12 ' D' ' 86' ' ' ILE . 86.3 t -62.21 -53.22 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.407 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.0 OUTLIER -65.93 -19.28 65.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.079 -179.318 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . 0.418 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.4 OUTLIER -53.64 127.83 26.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.731 0.3 . . . . 0.0 110.8 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -56.87 -58.77 6.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.602 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' D' ' 123' ' ' ASN . 0.7 OUTLIER -56.99 -46.22 82.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.937 -179.705 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.455 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 8.4 t80 -58.97 -56.07 27.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . 0.459 ' CG ' HD13 ' D' ' 86' ' ' ILE . 0.8 OUTLIER -54.68 -31.83 58.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.8 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.478 ' HB3' HG12 ' B' ' 127' ' ' ILE . 0.6 OUTLIER -61.26 -51.45 68.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.659 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.935 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -64.08 -49.2 73.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.994 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.79 ' CD1' HD12 ' D' ' 86' ' ' ILE . 39.5 t80 -57.85 -34.67 69.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -41.19 80.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 1.138 HD11 HD11 ' B' ' 127' ' ' ILE . 7.7 mt -59.16 -49.9 81.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.987 0.423 . . . . 0.0 111.003 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.628 ' O ' ' HB ' ' D' ' 132' ' ' THR . 13.1 t-80 -64.32 -46.19 84.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.093 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.928 ' O ' HG23 ' D' ' 133' ' ' VAL . 1.7 m-80 -55.62 -60.28 3.66 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.04 71.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.788 HG21 ' CG2' ' C' ' 57' ' ' ILE . 93.4 mt -58.04 -47.75 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.283 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.713 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -56.92 -45.28 82.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.222 0.534 . . . . 0.0 109.906 179.413 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.928 HG23 ' O ' ' D' ' 129' ' ' ASN . 92.5 t -53.71 -50.9 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.379 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -30.86 71.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.24 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 29.5 ttm . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.844 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.774 0.321 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.682 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.7 mt-10 -68.01 -45.77 73.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 11.7 tttm -62.55 -48.1 80.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.742 ' CE ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -60.72 -38.2 84.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.697 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.3 tp60 -69.25 -38.28 78.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 8' ' ' GLU . 17.9 t -59.24 -49.37 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.023 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.742 HD12 ' CE ' ' A' ' 10' ' ' MET . 9.2 mt -56.96 -51.86 67.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.613 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -64.68 -28.3 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.917 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.865 HG11 HD21 ' D' ' 112' ' ' LEU . 8.3 t -73.38 -36.84 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.994 179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.739 HD13 ' HA ' ' A' ' 39' ' ' TYR . 13.1 mt -64.39 -43.02 95.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.08 -43.57 74.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.724 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -61.2 -54.48 43.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.206 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.781 HD12 HD11 ' D' ' 112' ' ' LEU . 80.8 mt -54.35 -57.27 11.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.035 0.445 . . . . 0.0 110.963 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.724 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -54.1 -30.15 47.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.062 -179.648 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.88 -45.82 79.9 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.156 -1.021 . . . . 0.0 111.405 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -58.72 -38.9 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.603 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 31' ' ' GLN . 19.7 mt -64.93 -47.27 78.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.276 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.424 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -58.49 -27.52 64.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.146 179.2 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -82.93 -35.61 25.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.134 0.493 . . . . 0.0 110.37 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.74 -31.26 46.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.49 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.91 21.07 4.69 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.522 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -113.01 80.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.053 0.454 . . . . 0.0 110.053 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.424 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -89.97 9.08 29.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.224 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 m -85.2 -43.73 13.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.623 ' HB2' HD13 ' A' ' 23' ' ' LEU . 3.7 mp0 -75.52 -25.95 57.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.659 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.403 ' ND2' ' HG2' ' A' ' 24' ' ' GLN . 94.8 m-20 -55.54 -38.28 69.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.659 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -32.9 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.421 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -74.88 -38.97 61.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.335 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.724 HD12 ' N ' ' A' ' 20' ' ' ARG . 1.4 mt -67.82 -34.69 77.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.484 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -77.1 -29.84 55.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.046 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.849 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -74.4 -44.22 52.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.643 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.705 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 6.5 t80 -73.55 -45.59 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.172 0.51 . . . . 0.0 110.408 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.739 ' HA ' HD13 ' A' ' 16' ' ' LEU . 1.1 t80 -57.1 -53.94 52.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.862 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -59.07 -50.14 75.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.502 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.738 HG22 ' CD2' ' A' ' 47' ' ' PHE . 88.5 m -56.08 -37.31 69.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.056 0.455 . . . . 0.0 110.087 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.705 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -62.9 -32.93 74.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.128 179.098 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HE2' ' CD1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -71.62 -33.83 69.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.653 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.93 135.12 8.36 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.345 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.51 -42.68 2.47 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.616 2.21 . . . . 0.0 112.141 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.729 HD11 HD13 ' C' ' 57' ' ' ILE . 0.2 OUTLIER -58.29 -55.56 33.37 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.159 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.762 ' CE1' HD21 ' A' ' 51' ' ' LEU . 9.2 t80 -58.86 -39.82 82.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.972 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.21 -42.95 78.02 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.343 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.541 ' O ' HG22 ' A' ' 52' ' ' THR . 4.1 tt0 -61.03 -36.9 80.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.197 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.77 HG12 HD21 ' C' ' 53' ' ' LEU . 14.9 mt -64.62 -41.24 91.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.026 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.762 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -74.26 -45.17 49.51 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.497 -179.699 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 49' ' ' GLN . 2.8 t -54.24 -41.42 68.73 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.116 0.484 . . . . 0.0 110.008 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.848 HD21 HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -64.08 -49.72 71.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.759 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.511 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -58.94 -34.61 71.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.285 179.177 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -62.82 -40.04 96.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.042 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -42.74 98.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.652 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.849 ' CG2' HG21 ' B' ' 131' ' ' ILE . 2.1 mt -60.38 -36.46 69.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.213 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -60.48 -44.23 96.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.884 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -59.49 -39.5 83.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.119 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.7 mt -57.65 -45.48 85.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.507 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.468 ' CE ' HG23 ' B' ' 131' ' ' ILE . 9.4 mtpt -58.47 -48.36 81.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.651 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.881 0.372 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.888 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.4 OUTLIER -91.62 -167.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.623 179.813 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.847 HD13 ' HB3' ' C' ' 37' ' ' ALA . 22.1 tp -142.92 -38.44 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.53 108.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.717 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.879 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -52.64 -26.92 11.03 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.701 -179.436 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -64.43 -43.02 95.64 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.554 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . 0.407 ' HB3' ' NZ ' ' C' ' 34' ' ' LYS . 0.9 OUTLIER -80.51 -35.63 34.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.9 178.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.785 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.01 -31.43 66.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.296 179.475 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.481 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 13.3 t80 -72.85 -50.47 23.8 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.076 0.465 . . . . 0.0 110.196 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -30.95 71.05 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . 0.439 ' OG ' ' HG3' ' C' ' 34' ' ' LYS . 35.6 m -63.61 -51.17 66.44 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.526 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.768 HD13 ' HB2' ' B' ' 112' ' ' LEU . 1.0 OUTLIER -55.42 -38.13 68.56 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.505 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.444 ' HE2' ' CE1' ' B' ' 90' ' ' PHE . 2.4 mptp? -59.13 -40.07 84.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.345 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.424 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.1 t60 -69.1 -51.97 33.16 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' B' ' 93' ' ' LEU . 10.7 mt -51.7 -40.51 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.911 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.899 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -61.01 -52.21 65.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.078 179.674 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -80.42 -4.68 54.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.999 0.428 . . . . 0.0 110.456 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.9 m -96.79 -31.84 12.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.418 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.85 HD12 HD11 ' B' ' 109' ' ' ILE . 43.5 mt -92.15 -52.87 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.235 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.65 35.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.756 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -97.84 21.6 10.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 29.3 t 66.32 -71.19 0.09 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -32.41 70.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.218 0.532 . . . . 0.0 110.13 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.779 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -69.83 -38.79 76.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.544 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -36.87 85.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.094 0.473 . . . . 0.0 110.277 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.89 -40.51 79.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.463 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.817 ' HB3' HG13 ' C' ' 15' ' ' VAL . 13.2 m-20 -70.49 -43.43 69.73 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.899 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.6 mt -59.38 -49.26 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.504 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.641 ' HA ' HD12 ' B' ' 113' ' ' LEU . 3.6 t -57.05 -34.62 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.907 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.594 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.71 -51.4 68.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.895 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.844 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.7 mt -63.58 -42.61 98.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' B' ' 110' ' ' SER . 6.2 mt -56.45 -42.39 78.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.662 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -62.49 -52.13 64.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.494 ' CD2' HG21 ' C' ' 12' ' ' VAL . 2.2 mp -58.83 -50.74 72.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.241 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.879 HG13 HG12 ' B' ' 86' ' ' ILE . 58.8 t -55.79 -38.26 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.542 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -87.71 -8.15 56.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.894 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 1.3 t-20 -63.41 135.28 56.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.707 0.289 . . . . 0.0 110.645 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -56.43 -58.86 6.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.397 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.12 -47.38 86.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.261 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 11.0 t80 -56.35 -56.29 22.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.952 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -54.61 -33.66 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . 0.401 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.7 OUTLIER -61.68 -51.11 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 0.0 110.667 179.706 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.893 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -60.15 -43.19 95.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.782 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.6 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 2.2 t80 -63.12 -38.72 92.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -62.01 -37.82 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.343 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 1.063 HD11 HD11 ' D' ' 127' ' ' ILE . 11.8 mt -64.03 -49.74 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.735 ' O ' ' HB ' ' B' ' 132' ' ' THR . 27.8 t-80 -67.14 -44.07 80.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.126 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.884 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.8 OUTLIER -55.22 -59.07 5.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.15 -51.91 64.56 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.849 HG21 ' CG2' ' A' ' 57' ' ' ILE . 82.3 mt -57.58 -43.52 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.2 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.888 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.5 OUTLIER -59.46 -46.16 89.57 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.249 0.547 . . . . 0.0 109.589 179.057 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.884 HG23 ' O ' ' B' ' 129' ' ' ASN . 97.8 t -54.84 -46.43 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.257 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . 0.444 ' CE1' ' HG2' ' D' ' 119' ' ' LYS . 3.2 m170 -63.47 -33.58 75.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.935 178.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.4 ttm -58.89 -41.44 87.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.395 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 29.9 t30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.739 179.852 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.83 0.348 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.817 ' O ' HG23 ' C' ' 12' ' ' VAL . 4.9 mm-40 -61.64 -50.05 74.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.817 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.9 ttpt -59.76 -43.71 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.624 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -46.82 89.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.048 0.452 . . . . 0.0 109.914 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.571 ' O ' HG23 ' C' ' 15' ' ' VAL . 31.0 tp60 -64.99 -35.99 82.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.535 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.817 HG23 ' O ' ' C' ' 8' ' ' GLU . 41.0 t -59.24 -56.05 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.685 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.74 ' HA ' HD12 ' C' ' 16' ' ' LEU . 14.9 mt -54.57 -41.01 69.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.142 0.496 . . . . 0.0 110.178 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -28.28 65.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.818 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.817 HG13 ' HB3' ' B' ' 108' ' ' ASP . 3.9 t -73.74 -40.13 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.959 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' C' ' 13' ' ' LEU . 7.9 mt -64.51 -40.63 96.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.991 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.82 -41.41 75.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -66.6 -53.83 30.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.615 HD12 HD11 ' B' ' 112' ' ' LEU . 66.7 mt -54.61 -57.44 11.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 0.0 110.748 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.742 ' N ' HD12 ' C' ' 35' ' ' LEU . 0.5 OUTLIER -54.77 -31.96 59.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.803 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.58 -47.33 85.0 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.829 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.57 ' HB3' HD22 ' B' ' 100' ' ' LEU . 2.0 mttm -60.79 -34.9 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.6 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' C' ' 20' ' ' ARG . 21.2 mt -65.05 -49.92 68.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.95 0.405 . . . . 0.0 110.322 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.537 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.3 OUTLIER -58.13 -27.92 64.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.122 179.189 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.26 -31.98 29.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.512 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.438 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.0 OUTLIER -80.65 -32.06 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.157 -179.788 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.06 21.12 4.62 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 12.7 m-20 -117.54 82.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.419 . . . . 0.0 110.102 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.537 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -90.38 9.87 27.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.108 179.681 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 52.7 m -78.49 -52.01 9.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.458 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.424 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 3.5 mp0 -73.53 -24.97 60.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.498 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -52.1 -42.07 62.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.521 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.51 -32.91 67.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.288 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.439 ' HG3' ' OG ' ' B' ' 92' ' ' SER . 25.2 mmmt -70.75 -41.84 71.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.315 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.742 HD12 ' N ' ' C' ' 20' ' ' ARG . 1.3 mt -66.21 -31.87 72.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.268 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -33.13 56.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.85 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.847 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.73 -45.41 58.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.459 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.764 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 2.5 t80 -68.88 -49.5 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.323 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.643 ' HA ' HD13 ' C' ' 16' ' ' LEU . 38.4 t80 -53.87 -53.72 48.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.433 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 1.9 mt-10 -59.95 -43.96 94.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.782 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 85.1 m -59.91 -41.58 92.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.599 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.764 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 6.2 mt -61.18 -34.38 74.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.391 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.477 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.4 OUTLIER -72.38 -31.01 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.817 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . 0.437 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 1.6 m -47.6 129.3 10.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.265 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 27.4 Cg_exo -60.41 -46.33 18.37 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.294 1.996 . . . . 0.0 111.679 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.784 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -57.64 -53.43 58.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.346 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.926 ' CE1' HD21 ' C' ' 51' ' ' LEU . 19.8 t80 -56.92 -45.52 82.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.604 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.71 -34.65 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.4 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 34.3 mt-30 -67.99 -39.21 83.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.364 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.848 HG12 HD21 ' A' ' 53' ' ' LEU . 3.0 mt -63.53 -44.63 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.074 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.926 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.4 OUTLIER -69.46 -41.84 75.67 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.7 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -53.7 -48.83 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.014 0.435 . . . . 0.0 110.431 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.77 HD21 HG12 ' A' ' 50' ' ' ILE . 1.5 tt -59.12 -51.69 68.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.198 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.615 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -61.35 -30.84 70.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.42 179.545 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -39.54 94.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.019 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 30.4 t -65.77 -43.35 89.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.829 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.729 HD13 HD11 ' A' ' 46' ' ' LEU . 3.3 mt -60.35 -43.03 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.393 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . 0.422 ' HG2' ' HZ3' ' C' ' 61' ' ' LYS . 0.1 OUTLIER -59.26 -39.5 83.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.184 179.28 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -61.09 -40.68 94.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.271 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.7 OUTLIER -57.52 -48.72 78.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.489 179.597 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . 0.437 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 1.7 mtpt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.828 HD12 ' CG2' ' D' ' 132' ' ' THR . 1.1 mm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.79 0.328 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 0.849 HD13 ' HB3' ' A' ' 37' ' ' ALA . 16.5 tp 70.25 -52.73 0.64 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.119 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.46 113.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.949 HG12 HG13 ' D' ' 116' ' ' VAL . 1.1 mt -53.65 -25.06 10.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.54 -45.9 85.15 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.285 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -78.57 -35.07 46.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.792 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.27 -30.81 65.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.468 179.553 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 12.1 t80 -72.46 -48.21 42.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 0.0 109.848 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -30.1 70.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.612 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . 0.799 ' O ' HD12 ' D' ' 96' ' ' ILE . 0.3 OUTLIER -63.72 -53.47 50.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.408 179.373 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.716 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -56.4 -35.89 68.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -58.93 -44.98 91.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.667 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . 0.434 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 2.2 t60 -66.68 -55.63 14.27 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.799 HD12 ' O ' ' D' ' 92' ' ' SER . 4.3 mt -50.67 -33.5 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.956 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.583 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -65.32 -47.37 76.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.832 179.658 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -21.06 45.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.041 0.448 . . . . 0.0 110.478 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . 0.402 ' HG1' ' CE1' ' D' ' 95' ' ' HIS . 1.4 m -84.67 -33.97 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.175 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.631 HD12 HD11 ' D' ' 109' ' ' ILE . 48.9 mt -104.37 85.04 2.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.68 0.752 . . . . 0.0 109.238 178.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.1 36.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.409 -1.268 . . . . 0.0 111.16 -178.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.15 12.42 20.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.922 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 7.5 t 72.4 -68.29 0.23 Allowed 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.328 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' D' ' 107' ' ' GLU . 59.6 tp60 -60.93 -31.3 70.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.193 0.52 . . . . 0.0 110.072 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.516 ' O ' HD12 ' D' ' 109' ' ' ILE . 16.4 m -73.32 -47.64 40.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.468 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -65.75 -30.74 71.45 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.715 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' D' ' 104' ' ' GLN . 4.1 pt-20 -72.87 -36.82 67.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.688 ' HB3' HG13 ' A' ' 15' ' ' VAL . 15.9 m-20 -70.73 -40.99 72.43 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.687 ' CD1' HG22 ' D' ' 96' ' ' ILE . 5.9 mt -61.13 -49.44 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 114.942 -1.027 . . . . 0.0 109.652 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.601 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.2 m -54.55 -38.14 66.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.258 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.483 HD23 HD23 ' D' ' 112' ' ' LEU . 6.4 tt -59.83 -44.75 93.89 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.826 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.865 HD21 HG11 ' A' ' 15' ' ' VAL . 3.1 mt -63.8 -41.39 97.91 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.608 ' CD1' HG22 ' D' ' 109' ' ' ILE . 2.8 mt -60.0 -42.75 94.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.439 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . 0.547 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -61.8 -36.76 82.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.895 179.512 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.605 ' CD2' HG21 ' A' ' 12' ' ' VAL . 5.1 mp -70.73 -47.46 59.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.453 0.644 . . . . 0.0 109.837 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.949 HG13 HG12 ' D' ' 86' ' ' ILE . 58.8 t -62.08 -37.4 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.573 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.452 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 52.1 mt-30 -84.59 -17.93 37.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.391 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.43 143.54 19.02 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.813 0.339 . . . . 0.0 110.528 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . 0.444 ' HG2' ' CE1' ' B' ' 134' ' ' HIS . 0.0 OUTLIER -67.52 -58.45 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.301 -179.508 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.29 -50.01 74.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.722 0.296 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 10.8 t80 -55.82 -51.65 66.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -51.94 -35.89 47.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.672 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.454 ' O ' HG13 ' D' ' 127' ' ' ILE . 21.3 m-20 -68.25 -50.27 55.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.799 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.89 -49.45 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.043 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.663 ' CD1' HD12 ' D' ' 86' ' ' ILE . 15.3 t80 -63.45 -34.53 77.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -37.1 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 1.063 HD11 HD11 ' B' ' 127' ' ' ILE . 11.9 mt -64.73 -49.99 77.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.105 0.478 . . . . 0.0 110.519 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.802 ' O ' ' HB ' ' D' ' 132' ' ' THR . 42.0 t-80 -65.4 -41.39 93.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.837 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.868 ' O ' HG23 ' D' ' 133' ' ' VAL . 12.2 t-20 -55.26 -60.43 3.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.016 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.21 62.65 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.693 HD12 HG22 ' D' ' 127' ' ' ILE . 60.4 mt -57.81 -39.68 72.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.154 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.828 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -61.81 -45.24 94.72 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.868 HG23 ' O ' ' D' ' 129' ' ' ASN . 98.6 t -54.44 -49.21 66.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.533 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -33.12 74.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.925 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.434 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.889 0.375 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.803 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.9 mt-10 -68.07 -56.59 8.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.748 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.7 -41.13 73.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.504 ' HA ' ' HE2' ' A' ' 10' ' ' MET . 11.2 tpp -61.6 -47.69 84.31 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 15' ' ' VAL . 26.4 tp60 -61.93 -37.69 85.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 8' ' ' GLU . 71.1 t -57.23 -50.31 77.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.341 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.916 HD13 ' NZ ' ' A' ' 43' ' ' LYS . 11.9 mt -53.11 -50.82 63.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.35 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 6.5 tp60 -65.66 -28.04 68.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.863 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.826 ' CG1' HD21 ' D' ' 112' ' ' LEU . 5.1 t -72.46 -36.19 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.044 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.62 HD11 HD12 ' A' ' 42' ' ' LEU . 45.6 mt -64.05 -44.85 91.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.317 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.35 -38.51 74.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -54.68 32.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.914 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.536 HD12 HD11 ' D' ' 112' ' ' LEU . 75.3 mt -54.9 -55.38 31.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.049 0.452 . . . . 0.0 110.031 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.713 ' HB2' HD12 ' A' ' 35' ' ' LEU . 5.6 tmm_? -50.27 -42.45 52.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.038 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.09 -46.25 85.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.563 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 8.1 mmmt -63.0 -31.82 73.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 111.016 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.694 HD21 HG23 ' D' ' 96' ' ' ILE . 26.0 mt -71.95 -50.08 32.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.998 0.428 . . . . 0.0 110.791 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -26.49 66.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.224 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -82.92 -39.88 20.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.27 0.557 . . . . 0.0 109.973 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 1.6 mptt -70.87 -30.72 67.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.192 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.22 23.56 4.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 15.8 m-20 -120.41 81.52 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.0 0.428 . . . . 0.0 110.151 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.2 10.18 30.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.399 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.481 HG22 HE21 ' A' ' 31' ' ' GLN . 3.6 m -80.78 -48.89 11.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.039 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.586 ' HB2' HD13 ' A' ' 23' ' ' LEU . 2.0 mm-40 -67.22 -24.82 65.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.894 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -44.68 -50.2 10.02 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.927 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -34.6 67.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.528 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -68.05 -39.77 82.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.235 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.713 HD12 ' HB2' ' A' ' 20' ' ' ARG . 1.9 mt -70.9 -41.25 71.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.049 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.6 p -69.87 -36.15 75.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.462 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.034 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -61.61 -45.99 91.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.517 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.673 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 4.4 t80 -70.66 -38.01 73.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.015 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.566 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 1.6 t80 -53.38 -53.43 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.125 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -52.28 56.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.418 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.452 HG22 ' CD2' ' A' ' 47' ' ' PHE . 97.6 m -56.95 -33.4 66.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.0 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.673 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -67.44 -41.67 84.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.864 0.364 . . . . 0.0 110.41 179.507 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.916 ' NZ ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.33 -24.16 62.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 t -45.73 119.0 4.46 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.349 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.42 -51.81 7.68 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.399 2.066 . . . . 0.0 111.796 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.712 HD11 HD11 ' C' ' 57' ' ' ILE . 0.8 OUTLIER -57.95 -46.11 85.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.179 179.63 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CD2' HG22 ' A' ' 41' ' ' THR . 12.5 t80 -57.86 -46.15 85.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.347 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -56.0 -36.11 67.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.241 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -64.38 -41.06 96.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.191 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.814 HG12 HD21 ' C' ' 53' ' ' LEU . 4.3 mt -59.76 -43.01 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.574 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -69.12 -39.67 78.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.292 179.534 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.1 m -55.09 -45.7 75.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.323 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.864 HD21 HG12 ' C' ' 50' ' ' ILE . 0.6 OUTLIER -62.26 -49.89 73.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.051 179.216 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.484 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.4 OUTLIER -58.86 -32.21 69.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.441 179.459 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -65.64 -41.33 92.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.314 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -61.18 -44.03 97.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.075 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.698 ' HA ' HD12 ' A' ' 60' ' ' LEU . 16.8 mt -61.42 -35.13 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.047 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -42.48 98.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.883 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -39.03 90.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.98 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -58.05 -42.04 84.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.374 179.253 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HA ' ' HG3' ' B' ' 135' ' ' MET . 12.1 mtmt -61.12 -56.41 21.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.801 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.569 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.77 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -94.06 -172.43 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.337 0.589 . . . . 0.0 111.259 -179.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 1.005 HD13 ' HB3' ' C' ' 37' ' ' ALA . 3.9 tp -172.31 52.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.241 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 84' ' ' LEU . 2.6 mm-40 -36.17 121.52 0.69 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.708 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.934 HG12 HG13 ' B' ' 116' ' ' VAL . 0.7 OUTLIER -49.28 -24.59 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.781 -178.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.38 -45.89 91.13 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -36.52 51.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.998 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.732 HD12 HD21 ' B' ' 93' ' ' LEU . 0.1 OUTLIER -72.17 -28.75 63.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.491 179.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 12.0 t80 -72.53 -48.81 37.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.8 m -62.61 -29.36 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.456 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . 0.837 ' O ' HD12 ' B' ' 96' ' ' ILE . 74.6 m -63.4 -53.25 55.39 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.391 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.732 HD21 HD12 ' B' ' 89' ' ' LEU . 0.6 OUTLIER -57.03 -35.67 69.57 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.168 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.471 ' HA ' ' HG2' ' B' ' 97' ' ' GLN . 31.8 mmtt -59.84 -38.8 83.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.608 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.408 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 2.0 t60 -72.36 -54.1 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.837 HD12 ' O ' ' B' ' 92' ' ' SER . 3.7 mt -53.33 -35.03 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.76 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.928 ' HA ' HD13 ' B' ' 109' ' ' ILE . 2.2 pt20 -70.69 -38.11 73.66 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.327 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.466 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.6 OUTLIER -82.39 -20.44 37.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.212 179.013 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -85.74 -40.03 16.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.893 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.71 HD23 ' HE2' ' C' ' 26' ' ' LYS . 54.4 mt -96.97 85.82 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.47 35.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.464 -178.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.61 15.51 12.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.002 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.99 -67.47 0.21 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.786 0.326 . . . . 0.0 111.19 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -35.29 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.739 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.5 OUTLIER -67.94 -39.67 83.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.981 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.02 -35.48 80.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.976 0.417 . . . . 0.0 110.365 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -41.56 77.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.709 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.744 ' HB3' HG13 ' C' ' 15' ' ' VAL . 38.4 m-20 -70.24 -42.87 71.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.928 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.7 mt -59.34 -49.39 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.404 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.62 ' HA ' HD12 ' B' ' 113' ' ' LEU . 7.4 m -55.49 -35.92 66.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.879 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.771 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.39 -51.31 68.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.811 178.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.822 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.1 mt -62.47 -41.72 98.97 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.395 178.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.635 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.4 mt -58.16 -39.58 79.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.564 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.26 -51.89 67.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.008 0.433 . . . . 0.0 110.287 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.698 HD21 HG21 ' C' ' 12' ' ' VAL . 1.0 OUTLIER -61.37 -49.28 77.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.937 179.192 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.934 HG13 HG12 ' B' ' 86' ' ' ILE . 57.5 t -58.97 -34.92 54.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.457 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 44.1 mt-30 -89.27 -9.66 49.82 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 1.2 m-20 -58.91 151.24 22.19 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.758 0.313 . . . . 0.0 110.677 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -58.83 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.343 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -44.91 94.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.786 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.452 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 9.2 t80 -55.93 -53.46 56.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.558 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -53.02 -42.31 65.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . 0.421 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.6 OUTLIER -60.16 -51.19 70.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.953 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.93 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -57.58 -49.06 77.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.078 0.466 . . . . 0.0 110.937 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.455 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 4.8 t80 -59.3 -36.8 76.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.26 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -65.01 -39.28 93.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.661 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 1.028 HD11 HD11 ' D' ' 127' ' ' ILE . 11.4 mt -60.33 -49.65 83.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 CA-C-O 121.149 0.5 . . . . 0.0 110.348 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.794 ' O ' ' HB ' ' B' ' 132' ' ' THR . 24.0 t-80 -60.24 -42.82 96.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.046 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.908 ' O ' HG23 ' B' ' 133' ' ' VAL . 74.4 m-20 -54.99 -60.77 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . 0.487 ' HB1' ' HG2' ' D' ' 119' ' ' LYS . . . -62.87 -51.65 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.756 HD12 HG22 ' B' ' 127' ' ' ILE . 53.2 mt -59.12 -38.6 75.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.396 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.794 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -65.64 -47.39 75.72 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.294 0.568 . . . . 0.0 109.542 178.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.908 HG23 ' O ' ' B' ' 129' ' ' ASN . 99.0 t -52.93 -51.1 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.459 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -63.36 -30.89 71.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.048 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . 0.427 ' HG3' ' HA ' ' A' ' 61' ' ' LYS . 29.7 ttm -54.62 -60.03 3.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.985 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 23.5 p30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.016 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.808 0.337 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.8 ' O ' HG23 ' C' ' 12' ' ' VAL . 3.1 mm-40 -66.85 -58.23 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.2 OUTLIER -56.65 -42.3 78.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.633 179.694 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -44.09 97.66 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.585 ' NE2' HG23 ' C' ' 15' ' ' VAL . 30.8 tp60 -67.87 -32.07 72.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.638 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.8 HG23 ' O ' ' C' ' 8' ' ' GLU . 55.4 t -61.53 -56.06 20.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.589 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.848 ' HA ' HD12 ' C' ' 16' ' ' LEU . 18.5 mt -55.86 -42.48 75.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.137 0.494 . . . . 0.0 109.895 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -28.5 67.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.433 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.78 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.0 t -74.11 -37.88 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.93 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.848 HD12 ' HA ' ' C' ' 13' ' ' LEU . 11.2 mt -64.3 -40.52 96.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.761 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -41.45 77.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.532 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -54.28 27.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.644 HD12 HD11 ' B' ' 112' ' ' LEU . 68.6 mt -52.56 -57.06 11.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 0.0 110.37 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.658 ' CA ' HD12 ' C' ' 35' ' ' LEU . 5.4 tmm_? -50.9 -39.22 53.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.019 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.95 -45.38 95.21 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.98 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.589 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.9 mtpp -63.69 -32.56 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.658 0.266 . . . . 0.0 110.803 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.662 HD23 HD21 ' B' ' 100' ' ' LEU . 52.2 mt -67.57 -50.51 58.06 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.903 0.382 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -32.65 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.03 -28.34 29.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.311 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.71 ' HE2' HD23 ' B' ' 100' ' ' LEU . 8.6 mttm -78.47 -32.55 48.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.151 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.26 14.85 8.73 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.486 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.93 84.92 2.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 110.048 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.839 HG22 ' ND2' ' C' ' 32' ' ' ASN . 0.3 OUTLIER -94.87 27.26 3.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.005 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . 0.562 HG22 HE21 ' C' ' 31' ' ' GLN . 3.1 m -102.1 -47.4 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.426 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.723 ' HB3' HD11 ' B' ' 96' ' ' ILE . 2.0 mm-40 -72.78 -23.3 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.531 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . 0.839 ' ND2' HG22 ' C' ' 29' ' ' THR . 24.0 p-10 -48.58 -45.04 37.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -56.59 -32.24 65.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.126 0.488 . . . . 0.0 110.136 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.416 ' HA ' ' CD1' ' B' ' 84' ' ' LEU . 1.1 mmmm -73.31 -38.6 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.306 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.658 HD12 ' CA ' ' C' ' 20' ' ' ARG . 1.8 mt -70.11 -32.04 69.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -77.06 -32.54 56.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.002 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 1.005 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -76.94 -44.66 30.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.521 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.547 ' HD2' HD21 ' C' ' 16' ' ' LEU . 2.5 t80 -67.04 -39.71 87.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.274 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.676 ' HA ' HD13 ' C' ' 16' ' ' LEU . 42.1 t80 -64.37 -53.16 52.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.192 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.86 -49.83 76.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.116 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.461 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 90.9 m -56.21 -42.74 77.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.835 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.735 ' HB3' HD21 ' C' ' 13' ' ' LEU . 7.1 mt -61.56 -33.97 74.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.15 0.5 . . . . 0.0 110.291 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.751 ' HG3' HD13 ' C' ' 13' ' ' LEU . 15.5 mtpt -79.29 -34.38 42.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.561 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -45.19 140.57 3.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.449 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.66 -43.51 1.32 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.609 2.206 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.544 HD11 HD13 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.91 -52.8 64.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.357 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.881 ' CE1' HD21 ' C' ' 51' ' ' LEU . 23.7 t80 -58.26 -44.94 88.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.365 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -56.43 -39.43 73.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -44.66 95.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.864 HG12 HD21 ' A' ' 53' ' ' LEU . 25.6 mt -56.78 -44.75 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.806 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.881 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -67.66 -34.31 76.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.276 179.49 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.9 m -53.89 -50.26 66.74 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.908 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.814 HD21 HG12 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -61.19 -46.15 91.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.646 178.768 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.489 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -58.86 -32.73 69.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.884 178.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -66.52 -36.88 83.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.887 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 39.9 t -60.61 -47.59 85.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.816 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 1.017 HG21 HG21 ' D' ' 131' ' ' ILE . 60.2 mt -60.17 -38.38 76.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.983 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -58.46 -37.51 75.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.014 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -40.55 90.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.092 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.5 mt -53.97 -49.73 68.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.673 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.857 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.794 HD11 HG22 ' D' ' 133' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.543 0.211 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 1.034 HD13 ' HB3' ' A' ' 37' ' ' ALA . 48.6 tp -146.79 -45.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.878 0.371 . . . . 0.0 111.579 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.56 96.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -178.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.95 HG12 HG13 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -49.63 -24.97 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.852 -178.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.29 -41.21 94.36 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.023 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -81.14 -36.12 30.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.797 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.838 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -71.98 -31.34 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.394 179.337 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.506 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 15.6 t80 -72.36 -49.93 30.43 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.128 0.489 . . . . 0.0 109.806 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 30.1 t -61.75 -29.31 70.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.369 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . 0.511 ' C ' HD12 ' D' ' 96' ' ' ILE . 32.0 t -63.06 -52.58 62.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.348 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.739 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.7 OUTLIER -56.99 -35.46 69.21 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.497 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . 0.581 ' HE2' HD22 ' D' ' 113' ' ' LEU . 0.5 OUTLIER -59.24 -43.24 92.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.748 179.135 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . 0.465 ' CD2' ' HG3' ' A' ' 31' ' ' GLN . 1.8 t60 -68.04 -54.23 19.88 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.694 HG23 HD21 ' A' ' 23' ' ' LEU . 7.2 mt -50.72 -36.66 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.894 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.601 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.85 -53.23 57.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.059 179.638 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -80.89 -2.34 47.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.538 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . 0.402 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.5 m -99.06 -33.45 10.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.662 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.886 HD12 HD11 ' D' ' 109' ' ' ILE . 27.1 mt -89.1 -56.16 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.653 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 43.11 38.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.526 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.15 19.62 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.935 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.54 -71.09 0.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.73 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -34.85 74.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.222 0.534 . . . . 0.0 109.907 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.829 ' O ' HD12 ' D' ' 109' ' ' ILE . 59.0 m -67.87 -38.24 82.84 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.324 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -38.62 89.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.063 0.459 . . . . 0.0 110.298 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.07 -40.58 87.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.703 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.741 ' HB3' HG13 ' A' ' 15' ' ' VAL . 14.4 m-20 -70.41 -43.59 69.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.886 HD11 HD12 ' D' ' 100' ' ' LEU . 3.9 mt -58.55 -49.25 83.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.48 178.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.678 ' HA ' HD12 ' D' ' 113' ' ' LEU . 63.8 m -58.01 -34.65 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.101 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.565 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.84 -51.17 70.07 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.913 179.005 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.826 HD21 ' CG1' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -64.41 -40.65 96.21 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' D' ' 110' ' ' SER . 8.1 mt -58.73 -41.39 86.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.619 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . 0.426 ' HG2' ' CD1' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -65.97 -52.08 52.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.312 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.579 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.5 mp -56.3 -49.04 75.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.27 0.557 . . . . 0.0 109.947 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.95 HG13 HG12 ' D' ' 86' ' ' ILE . 87.8 t -57.82 -48.61 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.634 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 52.5 mt-30 -76.18 -8.73 57.68 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . 0.429 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.6 OUTLIER -62.5 135.51 57.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.72 0.295 . . . . 0.0 110.421 179.554 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . 0.487 ' HG2' ' HB1' ' B' ' 130' ' ' ALA . 0.0 OUTLIER -56.35 -58.88 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.76 -179.414 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.19 -50.03 74.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.522 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.9 t80 -55.79 -56.19 23.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.793 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -34.74 63.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.506 ' HB3' HG12 ' B' ' 127' ' ' ILE . 1.1 m120 -63.21 -51.56 65.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.005 0.431 . . . . 0.0 110.795 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.818 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -57.0 -39.49 74.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.977 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.595 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 1.7 t80 -63.79 -39.68 94.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.768 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -62.62 -35.88 81.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.412 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 1.028 HD11 HD11 ' B' ' 127' ' ' ILE . 20.9 mt -64.7 -49.34 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.803 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.775 ' O ' ' HB ' ' D' ' 132' ' ' THR . 6.3 t-80 -67.07 -31.45 71.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.285 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.87 ' O ' HG23 ' D' ' 133' ' ' VAL . 61.4 t-20 -66.09 -61.24 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.83 60.0 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 1.017 HG21 HG21 ' C' ' 57' ' ' ILE . 52.9 mt -53.99 -43.22 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.27 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.775 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.3 OUTLIER -59.33 -46.66 88.0 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.285 0.564 . . . . 0.0 109.563 178.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.87 HG23 ' O ' ' D' ' 129' ' ' ASN . 47.4 t -56.08 -44.73 79.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.693 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -32.54 73.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.135 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . 0.409 ' HE3' ' HA ' ' D' ' 132' ' ' THR . 11.5 ttm . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.599 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.802 0.335 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.8 ' O ' HG23 ' A' ' 12' ' ' VAL . 27.3 mt-10 -63.08 -55.11 28.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 11.5 ttpt -60.76 -45.18 95.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.631 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -42.06 97.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.966 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.526 ' NE2' HG23 ' A' ' 15' ' ' VAL . 31.9 tp60 -68.56 -35.38 77.34 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 8' ' ' GLU . 41.9 t -62.83 -52.22 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.394 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.63 ' HA ' HD12 ' A' ' 16' ' ' LEU . 8.4 mt -55.4 -42.82 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.151 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -28.33 66.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.758 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.81 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.6 t -73.79 -38.52 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.988 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 13' ' ' LEU . 15.7 mt -64.11 -42.01 97.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -43.25 74.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -65.13 -54.25 32.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.04 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.776 HD12 HD11 ' D' ' 112' ' ' LEU . 41.3 mt -51.89 -55.8 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.781 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.64 ' CB ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -52.25 -40.57 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.941 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.82 -42.34 96.51 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.745 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.8 mmtp -61.94 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.558 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.674 HD21 HG23 ' D' ' 96' ' ' ILE . 35.0 mt -62.87 -50.58 70.35 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -55.83 -33.07 64.13 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.31 -27.41 29.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.495 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . 1.2 mmtp -80.89 -30.22 35.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.242 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.17 22.79 6.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.108 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.7 83.21 2.0 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.991 0.425 . . . . 0.0 109.887 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.04 36.0 1.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.253 0.549 . . . . 0.0 109.914 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -109.93 -44.22 3.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.724 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.669 ' HB3' HD11 ' D' ' 96' ' ' ILE . 4.9 mp0 -70.67 -23.05 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.408 ' HB2' ' CD ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -46.37 -45.83 18.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.36 -179.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -57.02 -32.7 66.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.921 0.391 . . . . 0.0 110.362 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.549 ' O ' HD13 ' D' ' 84' ' ' LEU . 21.9 mmmt -72.16 -39.44 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 109.911 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.64 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.6 mt -70.41 -29.6 66.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.602 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -74.28 -34.85 63.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.968 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' D' ' 84' ' ' LEU . . . -74.5 -48.79 25.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.713 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.698 ' CE2' HD11 ' A' ' 42' ' ' LEU . 14.2 t80 -62.31 -50.98 69.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.338 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.596 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -56.53 -54.31 47.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.743 179.753 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.87 -49.77 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.939 HG22 ' CD2' ' A' ' 47' ' ' PHE . 52.7 m -58.28 -38.02 76.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.728 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.698 HD11 ' CE2' ' A' ' 38' ' ' PHE . 8.4 mt -64.06 -32.67 74.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.475 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -76.41 -32.02 58.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.93 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 t -51.5 137.42 31.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.328 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.72 -37.46 2.23 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.51 2.14 . . . . 0.0 112.172 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.591 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.2 OUTLIER -60.35 -53.86 52.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.147 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.939 ' CD2' HG22 ' A' ' 41' ' ' THR . 10.3 t80 -58.84 -45.02 91.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.387 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -57.72 -36.06 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.324 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.51 -41.79 98.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.19 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.797 HG12 HD21 ' C' ' 53' ' ' LEU . 5.9 mt -59.05 -49.04 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.738 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.607 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -62.94 -37.53 87.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.37 179.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.4 m -53.69 -50.0 66.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.936 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.862 HD21 HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -58.92 -41.98 88.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.534 178.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.642 HE21 ' HB2' ' D' ' 124' ' ' ALA . 7.2 mm-40 -60.4 -39.13 86.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.222 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -59.73 -39.82 85.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.127 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 t -61.03 -45.13 96.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.773 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.773 HD13 HD11 ' C' ' 46' ' ' LEU . 3.0 mt -60.08 -36.38 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.323 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -61.07 -41.18 96.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.929 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -62.12 -39.17 91.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.207 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.2 mt -57.61 -48.02 80.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.685 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.522 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 8.0 mtmm -64.72 -33.0 74.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.222 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.607 -179.865 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.934 0.397 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.598 ' N ' HD13 ' B' ' 83' ' ' ILE . 0.4 OUTLIER -92.2 -165.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.844 HD13 ' HB3' ' C' ' 37' ' ' ALA . 28.9 tp -163.6 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.27 104.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.49 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.859 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -49.61 -26.34 2.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.766 -179.346 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.27 -46.11 88.34 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.308 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.81 -35.29 51.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.483 . . . . 0.0 109.967 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.792 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.53 -30.38 65.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.471 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 11.0 t80 -72.6 -50.34 26.07 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.225 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 11.5 m -62.41 -29.34 70.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.527 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . 0.448 ' C ' HD12 ' B' ' 96' ' ' ILE . 56.3 m -64.07 -52.16 60.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.625 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.771 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.7 OUTLIER -57.08 -36.18 70.26 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.521 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -59.21 -42.1 90.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.767 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.423 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.4 t60 -69.01 -53.35 20.97 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.671 HG23 HD21 ' C' ' 23' ' ' LEU . 8.3 mt -51.02 -38.08 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.902 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.747 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -61.82 -53.81 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.095 179.675 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.71 -4.89 53.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.409 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.8 m -95.5 -33.3 12.49 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.457 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.887 HD12 HD11 ' B' ' 109' ' ' ILE . 18.2 mt -89.31 -54.32 4.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.252 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.26 36.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.672 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . 0.424 ' HB2' ' HB2' ' B' ' 105' ' ' SER . 0.5 OUTLIER -98.59 23.92 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.567 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.46 -72.87 0.07 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.75 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -59.87 -29.53 68.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.201 0.524 . . . . 0.0 109.936 179.18 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.861 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -70.38 -42.32 71.89 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.375 179.305 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -35.0 76.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.049 0.452 . . . . 0.0 110.315 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.97 -41.41 74.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.741 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.847 ' HB3' HG13 ' C' ' 15' ' ' VAL . 43.0 m-20 -70.8 -43.0 69.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.644 0.735 . . . . 0.0 109.053 179.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.887 HD11 HD12 ' B' ' 100' ' ' LEU . 4.2 mt -60.33 -49.34 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.41 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.636 ' HA ' HD12 ' B' ' 113' ' ' LEU . 8.4 t -57.67 -33.72 68.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.934 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.622 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.95 -51.55 68.74 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.821 178.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.888 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.9 mt -63.48 -43.72 96.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.335 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' B' ' 110' ' ' SER . 6.3 mt -55.17 -41.88 72.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.787 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -61.75 -51.99 66.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.755 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.589 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.3 mp -60.25 -49.07 79.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.256 0.551 . . . . 0.0 110.264 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 112' ' ' LEU . 48.2 t -57.36 -34.22 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.577 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.439 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 54.7 mt-30 -90.29 -10.86 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.75 141.7 52.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 110.528 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -58.76 5.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.274 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.94 -45.35 95.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.71 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 12.3 t80 -55.94 -56.02 25.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.757 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.94 -37.15 60.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.803 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . 0.423 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.6 OUTLIER -62.78 -51.4 67.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.841 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -61.8 -46.68 88.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.784 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.623 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 4.4 t80 -60.77 -35.55 76.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -38.58 89.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.66 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 1.078 HD11 HD11 ' D' ' 127' ' ' ILE . 12.3 mt -63.41 -49.79 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.832 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.63 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.2 t-80 -66.59 -32.49 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.051 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.926 ' O ' HG23 ' B' ' 133' ' ' VAL . 34.3 t-20 -63.15 -60.68 3.1 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . 0.532 ' HB1' ' NZ ' ' D' ' 119' ' ' LYS . . . -67.39 -51.66 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.675 HD12 HG22 ' B' ' 127' ' ' ILE . 55.4 mt -53.31 -38.07 30.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.759 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.63 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.8 OUTLIER -63.09 -53.19 57.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.451 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.926 HG23 ' O ' ' B' ' 129' ' ' ASN . 24.9 t -53.28 -49.98 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -30.97 72.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.265 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 28.4 ttm -58.63 -50.82 72.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.776 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.868 0.366 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.874 ' O ' HG23 ' C' ' 12' ' ' VAL . 3.1 mm-40 -68.0 -53.97 21.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.0 OUTLIER -51.92 -40.98 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . 0.488 ' HE3' HD12 ' C' ' 13' ' ' LEU . 3.3 tpt -61.59 -53.17 59.9 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.713 ' O ' HG23 ' C' ' 15' ' ' VAL . 25.6 tp60 -60.06 -31.56 70.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.771 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.874 HG23 ' O ' ' C' ' 8' ' ' GLU . 87.9 t -63.44 -47.67 90.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.81 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' C' ' 16' ' ' LEU . 13.5 mt -58.38 -46.12 86.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.048 0.452 . . . . 0.0 110.007 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -27.86 68.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.665 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.847 HG13 ' HB3' ' B' ' 108' ' ' ASP . 4.8 t -73.01 -40.64 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.206 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' C' ' 13' ' ' LEU . 7.3 mt -64.06 -39.14 93.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.835 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.86 -39.15 69.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.675 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -66.61 -54.42 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.804 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.631 HD22 HD12 ' B' ' 100' ' ' LEU . 79.9 mt -53.63 -57.29 11.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.39 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.723 ' HA ' HD12 ' C' ' 23' ' ' LEU . 0.9 OUTLIER -50.61 -37.65 41.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.816 179.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.41 -49.43 76.56 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.755 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.591 ' HB3' HD22 ' B' ' 100' ' ' LEU . 12.4 mttm -62.13 -34.21 75.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 0.0 110.601 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' C' ' 20' ' ' ARG . 33.6 mt -66.45 -50.46 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.501 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.439 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -59.41 -26.77 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.123 179.295 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.29 -31.21 30.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.713 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' B' ' 100' ' ' LEU . 0.7 OUTLIER -81.17 -34.99 32.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.355 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.24 15.92 5.87 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.634 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -111.17 81.74 1.49 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.93 0.395 . . . . 0.0 109.97 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.439 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -91.54 11.42 24.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.142 179.803 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 50.8 m -75.65 -39.52 57.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.409 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.659 ' HB3' HD11 ' B' ' 96' ' ' ILE . 0.9 OUTLIER -84.62 -18.52 35.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.555 179.458 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.77 -52.9 13.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.018 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.71 -35.11 68.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.438 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.41 ' HG3' ' OG ' ' B' ' 92' ' ' SER . 23.7 mmmt -64.46 -41.55 96.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.185 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.684 HD12 ' CB ' ' C' ' 20' ' ' ARG . 1.8 mt -70.22 -31.73 69.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.692 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -33.96 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.802 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.844 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -71.62 -43.52 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.39 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.71 ' CD2' HD21 ' C' ' 16' ' ' LEU . 2.4 t80 -70.71 -49.88 42.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.412 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.684 ' CA ' HD13 ' C' ' 16' ' ' LEU . 28.9 t80 -57.49 -53.73 54.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.245 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.42 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 39.1 mt-10 -58.92 -49.22 78.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.454 HG22 ' CD2' ' C' ' 47' ' ' PHE . 93.7 m -57.77 -39.22 76.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.612 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.692 HD11 ' CE1' ' C' ' 38' ' ' PHE . 3.5 mt -61.72 -33.54 74.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.292 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.482 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -73.09 -32.38 64.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.911 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -47.04 130.89 9.09 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.372 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.11 -33.61 31.01 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.412 2.074 . . . . 0.0 111.979 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.773 HD11 HD13 ' A' ' 57' ' ' ILE . 0.5 OUTLIER -63.94 -55.26 23.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.213 179.603 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.689 ' CE1' HD21 ' C' ' 51' ' ' LEU . 9.7 t80 -58.02 -42.85 86.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.32 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -56.15 -37.89 70.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.451 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -64.47 -42.01 96.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.226 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.862 HG12 HD21 ' A' ' 53' ' ' LEU . 7.0 mt -58.22 -44.77 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.881 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.689 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -67.94 -35.44 78.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.19 179.678 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 40.1 m -53.86 -49.73 67.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.003 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.797 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -60.98 -46.51 90.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.661 178.688 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.702 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -59.92 -32.14 70.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.18 179.054 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -64.88 -39.67 93.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.035 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 4.9 m -61.72 -43.85 98.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.671 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.787 HG21 HG21 ' D' ' 131' ' ' ILE . 5.3 mt -59.69 -39.62 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.938 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . 0.413 ' HA ' ' CG ' ' C' ' 61' ' ' LYS . 0.0 OUTLIER -62.6 -32.56 73.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.487 178.528 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -43.23 99.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.8 OUTLIER -56.11 -65.01 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.917 178.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 58' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.209 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.894 HG21 ' HA ' ' D' ' 129' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 0.721 HD23 ' HZ ' ' D' ' 125' ' ' PHE . 2.2 pt? -162.51 -4.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.2 OUTLIER 60.52 141.7 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.96 0.41 . . . . 0.0 110.82 179.671 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.741 HG23 HG12 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -70.36 -32.18 49.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.429 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.05 -42.16 99.65 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.581 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . 0.429 ' HB3' ' NZ ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -75.78 -44.26 42.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.704 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -72.68 -28.5 62.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.974 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' D' ' 86' ' ' ILE . 38.0 t80 -70.48 -41.29 72.91 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.8 -31.77 72.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.201 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . 0.797 ' C ' HD12 ' D' ' 96' ' ' ILE . 0.1 OUTLIER -65.06 -52.03 58.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.36 179.178 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -56.61 -35.97 68.89 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.445 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -59.21 -45.75 90.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.641 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.14 -55.86 14.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.797 HD12 ' C ' ' D' ' 92' ' ' SER . 4.7 mt -50.92 -33.92 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.082 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.608 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -64.71 -51.14 64.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.95 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -75.93 -21.98 56.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.063 0.459 . . . . 0.0 110.388 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.13 -34.07 26.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.026 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.622 HD12 ' CG2' ' D' ' 96' ' ' ILE . 92.9 mt -106.37 81.08 1.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.04 36.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.116 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.34 11.43 14.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.879 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' D' ' 106' ' ' GLN . 0.2 OUTLIER 75.97 -67.52 0.23 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.176 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -31.44 71.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.145 0.498 . . . . 0.0 110.045 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.772 ' O ' HD12 ' D' ' 109' ' ' ILE . 2.8 m -72.17 -44.95 62.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.968 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' D' ' 103' ' ' SER . 3.0 pt20 -63.52 -30.1 71.27 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.622 0.249 . . . . 0.0 110.585 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -39.25 64.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.975 0.417 . . . . 0.0 110.093 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.736 ' CG ' HG22 ' A' ' 15' ' ' VAL . 26.1 m-20 -70.3 -41.88 72.76 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.772 HD12 ' O ' ' D' ' 105' ' ' SER . 4.1 mt -59.96 -49.55 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.372 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.644 ' HA ' HD12 ' D' ' 113' ' ' LEU . 2.3 t -54.89 -36.78 65.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.745 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.596 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.23 -50.89 69.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.981 178.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.842 ' O ' HG23 ' D' ' 116' ' ' VAL . 3.6 mt -61.41 -44.51 97.01 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.193 0.521 . . . . 0.0 109.659 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' D' ' 110' ' ' SER . 2.8 mt -55.66 -43.13 76.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.598 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -61.51 -49.35 77.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.44 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.637 ' CD2' HG21 ' A' ' 12' ' ' VAL . 2.2 mp -60.69 -47.72 84.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.322 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.842 HG23 ' O ' ' D' ' 112' ' ' LEU . 41.3 t -63.02 -38.67 82.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.488 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 25.4 mt-30 -81.07 -12.59 59.27 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.59 133.48 53.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.75 0.309 . . . . 0.0 110.749 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . 0.532 ' NZ ' ' HB1' ' B' ' 130' ' ' ALA . 0.0 OUTLIER -57.38 -58.79 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.462 -179.341 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -50.25 74.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.5 t80 -56.96 -39.86 75.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.494 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 20.0 mt-30 -58.69 -47.96 82.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.114 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.427 ' HB3' HG12 ' B' ' 127' ' ' ILE . 68.2 m-20 -61.59 -42.47 98.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.995 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.887 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.71 -49.23 75.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.721 ' HZ ' HD23 ' D' ' 84' ' ' LEU . 10.5 t80 -60.16 -36.71 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.673 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 19.6 mmtt -62.81 -34.74 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.405 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 1.078 HD11 HD11 ' B' ' 127' ' ' ILE . 10.3 mt -69.38 -50.03 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.694 ' O ' ' HB ' ' D' ' 132' ' ' THR . 27.6 t-80 -63.5 -48.43 77.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.774 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.894 ' HA ' HG21 ' D' ' 83' ' ' ILE . 1.3 t30 -55.57 -60.36 3.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.042 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.46 -52.07 66.78 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.787 HG21 HG21 ' C' ' 57' ' ' ILE . 56.4 mt -58.63 -41.51 82.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.431 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.694 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -61.58 -48.57 80.38 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.152 0.501 . . . . 0.0 109.654 179.042 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' D' ' 132' ' ' THR . 47.1 t -57.86 -46.12 87.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.276 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -63.44 -32.28 73.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.039 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . 0.45 ' HE2' HG22 ' D' ' 131' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.165 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.549 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.817 0.341 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.0 pt-20 -67.91 -42.0 81.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.754 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.713 ' HD2' HD22 ' A' ' 42' ' ' LEU . 2.6 tptt -65.98 -44.9 83.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.4 -38.63 87.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.579 ' NE2' HG23 ' A' ' 15' ' ' VAL . 32.7 tp60 -70.86 -35.24 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 8' ' ' GLU . 19.5 t -60.46 -54.35 36.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.351 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.689 ' HA ' HD12 ' A' ' 16' ' ' LEU . 15.5 mt -57.93 -43.83 86.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.884 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -28.39 69.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.554 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.819 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.2 t -73.78 -39.47 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.802 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 13' ' ' LEU . 23.3 mt -61.83 -39.69 92.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.647 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.36 -40.22 70.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -65.36 -54.71 24.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.655 HD12 HD11 ' D' ' 112' ' ' LEU . 77.2 mt -52.98 -53.75 45.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.075 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.775 ' HB2' HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -50.13 -45.88 53.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.825 179.328 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.16 67.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.916 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.771 ' HB3' HD22 ' D' ' 100' ' ' LEU . 1.1 mttm -66.76 -31.96 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.862 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.725 HD21 HG23 ' D' ' 96' ' ' ILE . 60.2 mt -67.41 -50.58 58.86 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.085 0.469 . . . . 0.0 110.543 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.405 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.6 OUTLIER -62.86 -26.5 68.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.908 179.055 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.79 -33.32 27.33 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.74 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.8 OUTLIER -78.39 -33.52 48.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.491 -179.726 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.83 25.79 3.81 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.575 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -122.7 83.86 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.916 0.389 . . . . 0.0 109.999 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -94.05 13.2 23.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.562 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -78.59 -55.75 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.181 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.624 ' HB3' HD11 ' D' ' 96' ' ' ILE . 4.2 mp0 -67.48 -14.5 62.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.607 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -51.22 -45.63 61.97 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.736 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -57.5 -33.54 68.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.565 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -70.6 -35.68 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.398 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.775 HD12 ' HB2' ' A' ' 20' ' ' ARG . 2.9 mt -70.4 -36.63 74.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.371 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.4 p -73.14 -32.1 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.137 0.494 . . . . 0.0 109.907 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.834 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -75.17 -44.32 47.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.549 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.549 ' HD2' HD21 ' A' ' 16' ' ' LEU . 3.1 t80 -68.72 -47.29 66.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.286 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.579 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -56.3 -53.46 56.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.928 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -51.41 69.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.536 HG22 ' CE2' ' A' ' 47' ' ' PHE . 89.4 m -55.56 -39.57 70.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.713 HD22 ' HD2' ' A' ' 9' ' ' LYS . 6.6 mt -62.88 -35.44 80.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.547 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -72.37 -28.87 63.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.088 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 47' ' ' PHE . 67.1 m -42.45 128.92 2.9 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.447 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.82 -58.64 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.571 2.181 . . . . 0.0 112.67 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.825 HD13 HG12 ' C' ' 57' ' ' ILE . 0.5 OUTLIER -57.7 -34.3 69.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.536 ' CE2' HG22 ' A' ' 41' ' ' THR . 9.2 t80 -62.32 -47.81 82.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.105 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -55.89 -37.57 69.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.026 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.9 -41.1 97.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.352 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.605 HG12 HD21 ' C' ' 53' ' ' LEU . 2.4 mt -60.13 -45.71 95.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.715 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.561 HD12 ' NZ ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -64.09 -44.23 92.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.342 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.0 m -54.56 -39.58 67.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.0 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.797 HD21 HG12 ' C' ' 50' ' ' ILE . 0.9 OUTLIER -61.5 -50.43 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.012 178.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.557 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 1.1 mp0 -59.73 -31.84 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.943 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -40.24 96.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.931 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.7 t -60.83 -48.82 80.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.687 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.772 HG21 HG21 ' B' ' 131' ' ' ILE . 67.4 mt -59.8 -34.93 57.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.923 178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -42.45 89.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.037 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -62.81 -40.74 98.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.945 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.9 mt -55.53 -42.04 74.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.637 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -63.69 -50.52 68.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.6 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.853 0.359 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.856 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -98.27 -159.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.971 HD13 ' HB3' ' C' ' 37' ' ' ALA . 25.1 tp -155.22 -36.87 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.04 104.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.508 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.944 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -49.88 -25.01 2.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.626 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.26 -48.38 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.069 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.4 -34.73 58.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.803 178.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.744 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.42 -29.04 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.453 179.387 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.552 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 8.2 t80 -72.39 -50.54 25.78 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.904 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.5 t -63.31 -27.2 69.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.484 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . 0.419 ' C ' HD12 ' B' ' 96' ' ' ILE . 55.8 m -65.33 -51.57 59.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.651 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.717 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -58.36 -38.33 77.01 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.564 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -59.39 -39.89 84.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.581 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.6 t60 -69.73 -53.52 18.07 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.687 HG23 HD21 ' C' ' 23' ' ' LEU . 9.4 mt -51.33 -39.69 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.041 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.92 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -62.51 -52.06 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.039 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -80.0 -4.45 52.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.503 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . 0.404 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -96.66 -34.0 11.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.304 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.952 HD12 HD11 ' B' ' 109' ' ' ILE . 71.8 mt -91.62 -54.92 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.076 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.87 38.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.695 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.44 27.37 5.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.454 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 50.1 m 65.03 -73.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.597 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -60.39 -26.8 66.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.868 ' O ' HD12 ' B' ' 109' ' ' ILE . 53.9 p -73.12 -50.65 21.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.199 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -62.46 -30.84 71.54 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' B' ' 104' ' ' GLN . 4.3 pt-20 -73.87 -39.73 63.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.371 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.727 ' HB3' HG13 ' C' ' 15' ' ' VAL . 24.8 m-20 -71.23 -42.1 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.952 HD11 HD12 ' B' ' 100' ' ' LEU . 4.1 mt -60.13 -49.55 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.818 178.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.585 ' HA ' HD12 ' B' ' 113' ' ' LEU . 4.3 t -57.32 -37.33 72.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.546 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.644 ' CD2' HG22 ' C' ' 12' ' ' VAL . 7.6 tt -58.0 -48.1 81.04 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.972 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.757 HD21 ' CG1' ' C' ' 15' ' ' VAL . 3.1 mt -63.5 -43.59 96.8 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.624 ' CD1' HG22 ' B' ' 109' ' ' ILE . 3.2 mt -55.73 -43.95 77.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.442 179.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.18 -46.18 91.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.741 ' CD2' HG21 ' C' ' 12' ' ' VAL . 5.7 mp -61.81 -45.93 91.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.977 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.944 HG13 HG12 ' B' ' 86' ' ' ILE . 73.3 t -60.31 -46.37 95.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.571 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.458 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 52.1 mt-30 -74.57 -16.76 60.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.498 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 50.1 t-20 -59.62 131.36 50.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.849 0.357 . . . . 0.0 110.385 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -54.42 -58.78 6.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.979 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.21 -50.41 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.399 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.498 ' HB3' ' HB3' ' B' ' 118' ' ' ASN . 11.7 t80 -58.23 -56.22 24.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.94 0.4 . . . . 0.0 110.522 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -55.48 -30.72 61.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.8 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . 0.549 ' HB3' HG12 ' D' ' 127' ' ' ILE . 71.0 m-20 -68.35 -51.13 47.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.533 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.885 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -59.32 -47.92 83.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.615 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.584 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 4.4 t80 -58.82 -34.94 72.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.636 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -65.35 -37.53 87.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.434 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 1.034 HD11 HD11 ' D' ' 127' ' ' ILE . 13.0 mt -62.98 -49.78 82.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.666 ' O ' ' HB ' ' B' ' 132' ' ' THR . 23.3 t-80 -63.49 -48.94 75.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.91 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.851 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.1 t30 -55.22 -60.2 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.931 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.17 -52.06 66.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.74 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.774 HD12 HG22 ' B' ' 127' ' ' ILE . 68.9 mt -57.36 -46.7 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.21 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.856 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.5 OUTLIER -57.12 -46.05 82.96 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.277 0.56 . . . . 0.0 109.664 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.851 HG23 ' O ' ' B' ' 129' ' ' ASN . 90.1 t -56.42 -49.46 76.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.155 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -63.75 -31.02 72.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.341 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . 0.402 ' HE3' ' HA ' ' B' ' 132' ' ' THR . 27.7 ttm -56.35 -60.05 4.08 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 14.4 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.818 0.342 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.814 ' O ' HG23 ' C' ' 12' ' ' VAL . 5.7 mm-40 -61.73 -54.03 48.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.704 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.7 tmmm? -60.98 -42.45 98.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.468 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.41 -44.83 96.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.142 0.496 . . . . 0.0 109.692 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.496 ' O ' ' HG3' ' C' ' 14' ' ' GLN . 30.0 tp60 -66.56 -35.96 81.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.365 178.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.814 HG23 ' O ' ' C' ' 8' ' ' GLU . 43.4 t -60.26 -43.4 93.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.475 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.765 HD13 ' HZ3' ' C' ' 43' ' ' LYS . 7.2 mt -62.5 -52.73 62.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.887 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' C' ' 11' ' ' GLN . 0.0 OUTLIER -67.16 -27.68 67.49 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.656 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.757 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.3 t -72.86 -37.05 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.858 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.73 HD21 ' CD2' ' C' ' 38' ' ' PHE . 9.7 mt -64.13 -46.96 81.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.749 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.4 -38.8 91.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.636 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -53.4 51.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.976 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.616 HD12 HD11 ' B' ' 112' ' ' LEU . 39.2 mt -51.98 -57.36 9.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.72 ' HB2' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -52.18 -37.47 54.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.875 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.45 -47.02 92.19 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.913 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.724 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.2 mttm -64.21 -31.7 73.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.733 0.302 . . . . 0.0 110.698 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.687 HD21 HG23 ' B' ' 96' ' ' ILE . 40.3 mt -68.21 -50.43 54.2 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.774 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -32.28 66.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -82.75 -27.66 30.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.153 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' C' ' 23' ' ' LEU . 3.6 mmtp -77.27 -35.18 55.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.11 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.51 5.2 16.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -106.81 87.04 2.43 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.021 0.439 . . . . 0.0 110.146 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.45 14.62 14.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.026 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -84.01 -52.08 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.448 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.42 ' HB3' HD11 ' B' ' 96' ' ' ILE . 3.1 mp0 -72.57 -20.96 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.645 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -53.03 -45.36 67.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.93 -32.65 66.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.197 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -67.6 -45.14 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.258 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.72 HD12 ' HB2' ' C' ' 20' ' ' ARG . 2.0 mt -61.81 -37.67 85.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.437 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 22.8 p -71.46 -31.66 67.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.119 0.485 . . . . 0.0 109.911 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.971 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.39 -44.8 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.363 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.73 ' CD2' HD21 ' C' ' 16' ' ' LEU . 2.6 t80 -71.6 -44.72 63.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.146 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.577 ' HB2' ' O ' ' C' ' 35' ' ' LEU . 8.3 t80 -53.62 -53.22 54.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.003 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -52.12 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 87.2 m -54.51 -33.6 60.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.946 0.403 . . . . 0.0 110.794 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 0.3 OUTLIER -68.52 -37.6 80.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.765 ' HZ3' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -69.44 -27.91 65.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.805 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -49.13 124.38 13.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.261 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.62 -37.65 36.06 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.405 2.07 . . . . 0.0 112.052 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.719 HD11 HD11 ' A' ' 57' ' ' ILE . 0.9 OUTLIER -63.94 -47.89 78.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.1 179.532 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.782 ' CE1' HD21 ' C' ' 51' ' ' LEU . 20.9 t80 -57.75 -47.54 82.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.416 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -55.92 -37.41 68.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.372 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -61.91 -42.88 99.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.256 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.797 HG12 HD21 ' A' ' 53' ' ' LEU . 2.7 mt -58.46 -46.5 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.544 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.782 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -65.83 -35.62 81.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.169 179.52 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 28.3 m -53.59 -52.16 60.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.101 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.605 HD21 HG12 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -59.35 -44.02 92.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.783 178.836 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.494 HE21 ' HB2' ' B' ' 124' ' ' ALA . 4.0 mt-30 -60.31 -35.54 75.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.305 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.38 -41.67 98.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.189 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -46.41 90.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.185 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.825 HG12 HD13 ' A' ' 46' ' ' LEU . 34.8 mt -59.63 -37.68 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.218 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . 0.421 ' HA ' ' CE ' ' C' ' 61' ' ' LYS . 16.1 tppt? -61.85 -37.73 85.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.824 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -38.26 88.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.561 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.1 mt -62.95 -60.24 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.477 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . 0.639 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.414 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.585 ' N ' HD13 ' D' ' 83' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 120.967 0.413 . . . . 0.0 111.142 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 0.834 HD13 ' HB3' ' A' ' 37' ' ' ALA . 48.0 tp -129.26 -39.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.21 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 57.33 107.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.347 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.845 HG12 HG13 ' D' ' 116' ' ' VAL . 0.8 OUTLIER -49.82 -25.8 2.43 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.731 -179.399 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.45 -47.47 81.73 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.358 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -77.13 -34.56 56.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.705 HD11 HG21 ' D' ' 116' ' ' VAL . 0.1 OUTLIER -72.22 -30.03 64.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.514 179.432 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.521 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.2 t80 -72.26 -48.16 44.71 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 97.4 p -63.62 -28.39 69.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.421 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . 0.738 ' O ' HD12 ' D' ' 96' ' ' ILE . 22.9 t -63.76 -53.12 55.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.765 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.5 OUTLIER -58.62 -34.81 71.57 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.338 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -59.66 -42.18 92.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.602 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . 0.45 ' CD2' ' NE2' ' A' ' 31' ' ' GLN . 1.7 t60 -68.78 -55.23 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.738 HD12 ' O ' ' D' ' 92' ' ' SER . 4.6 mt -52.95 -33.9 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.23 179.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.764 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.1 OUTLIER -66.66 -49.11 67.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.78 -21.27 57.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.37 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.05 -37.02 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.918 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.771 HD22 ' HB3' ' A' ' 22' ' ' LYS . 21.5 mt -107.55 75.5 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -95.26 37.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.26 -178.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.07 28.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.916 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 22.6 t 66.96 -70.59 0.11 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.728 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -34.81 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.05 0.452 . . . . 0.0 110.483 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.861 ' O ' HD12 ' D' ' 109' ' ' ILE . 1.3 m -67.39 -43.44 81.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -34.46 73.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.03 -42.55 72.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.065 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.752 ' CG ' HG22 ' A' ' 15' ' ' VAL . 47.0 m-20 -70.46 -42.26 71.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.653 0.74 . . . . 0.0 109.097 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.861 HD12 ' O ' ' D' ' 105' ' ' SER . 4.2 mt -61.04 -49.54 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.681 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.585 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.1 m -57.59 -33.16 67.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.689 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.634 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -57.42 -51.56 68.93 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.873 178.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.841 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 mt -63.48 -42.29 98.56 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.409 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.626 ' CD1' HG22 ' D' ' 109' ' ' ILE . 5.6 mt -57.54 -41.41 80.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.777 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.8 -50.08 73.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.954 0.407 . . . . 0.0 110.497 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.492 HD21 HG21 ' A' ' 12' ' ' VAL . 1.4 mp -60.97 -48.85 79.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.143 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.845 HG13 HG12 ' D' ' 86' ' ' ILE . 47.9 t -60.65 -40.37 84.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.563 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.436 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 44.4 mt-30 -82.21 -10.77 59.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.777 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.9 OUTLIER -61.43 140.36 58.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 110.55 179.552 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -64.77 -58.28 6.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.306 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.35 -50.08 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.885 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.2 t80 -55.68 -47.31 76.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.451 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.12 -42.7 69.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.469 ' HB3' HG12 ' B' ' 127' ' ' ILE . 65.7 m-80 -60.48 -49.52 77.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.0 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.836 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.7 -48.21 78.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.045 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.596 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 10.5 t80 -59.02 -36.49 75.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -64.91 -36.58 84.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 1.034 HD11 HD11 ' B' ' 127' ' ' ILE . 15.5 mt -63.4 -49.72 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 0.0 110.58 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.634 ' O ' ' HB ' ' D' ' 132' ' ' THR . 17.5 t-80 -66.41 -40.83 89.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.077 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.91 ' O ' HG23 ' D' ' 133' ' ' VAL . 0.2 OUTLIER -55.86 -60.88 2.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.181 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.41 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.752 HD12 HG22 ' D' ' 127' ' ' ILE . 46.3 mt -53.83 -35.8 28.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.634 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.3 -50.82 70.13 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.154 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.91 HG23 ' O ' ' D' ' 129' ' ' ASN . 14.4 t -52.94 -50.76 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.037 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -30.8 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.734 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 29.1 ttm . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.848 0.356 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.801 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.2 mt-10 -68.08 -49.08 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.711 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.83 ' HD2' HD22 ' A' ' 42' ' ' LEU . 3.9 tptt -60.1 -44.46 94.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.605 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.447 ' HA ' ' HE2' ' A' ' 10' ' ' MET . 1.8 mmt -61.4 -44.47 97.09 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.7 tp60 -65.81 -37.38 86.1 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 8' ' ' GLU . 43.1 t -59.56 -51.47 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.383 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 16' ' ' LEU . 7.7 mt -57.49 -45.25 85.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.099 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -28.24 68.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.666 178.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.812 HG13 ' HB3' ' D' ' 108' ' ' ASP . 2.6 t -72.7 -39.93 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.843 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.541 HD13 ' CA ' ' A' ' 39' ' ' TYR . 34.1 mt -63.28 -40.08 96.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.918 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -69.38 -44.11 72.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -63.59 -54.14 40.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.571 HD12 HD11 ' D' ' 112' ' ' LEU . 68.8 mt -52.16 -57.33 9.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.967 0.413 . . . . 0.0 110.604 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.631 ' CB ' HD12 ' A' ' 35' ' ' LEU . 3.6 tmm_? -50.03 -37.81 34.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.015 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.12 -48.23 87.16 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.168 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.749 ' HB3' HD22 ' D' ' 100' ' ' LEU . 13.7 mttm -61.37 -35.71 78.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.716 0.293 . . . . 0.0 111.005 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.849 HD23 HD21 ' D' ' 100' ' ' LEU . 24.6 mt -65.09 -50.45 66.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.681 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.86 -27.02 66.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.173 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.58 -33.26 28.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.578 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -81.6 -30.19 33.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.364 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.63 23.56 4.34 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.411 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -114.74 80.56 1.43 Allowed 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.013 0.435 . . . . 0.0 110.028 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.69 23.58 6.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.209 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -92.99 -44.47 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.677 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.608 ' HB3' HD11 ' D' ' 96' ' ' ILE . 4.4 mp0 -72.83 -23.39 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.404 ' ND2' ' HG2' ' A' ' 20' ' ' ARG . 4.1 m120 -46.86 -47.61 21.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.696 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.77 -33.13 66.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.953 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HA ' ' CD1' ' D' ' 84' ' ' LEU . 3.2 mmmm -75.12 -39.52 60.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.954 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.631 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.8 mt -68.64 -32.59 72.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.228 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -33.89 62.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.103 0.478 . . . . 0.0 109.889 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.971 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -74.39 -48.14 29.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.507 179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.738 ' CE2' HD11 ' A' ' 42' ' ' LEU . 45.1 t80 -62.26 -51.89 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.33 0.586 . . . . 0.0 109.889 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.566 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.86 -53.87 49.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.778 179.607 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -57.83 -47.64 82.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.845 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.46 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 78.4 m -58.37 -36.39 73.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.577 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.83 HD22 ' HD2' ' A' ' 9' ' ' LYS . 7.6 mt -65.65 -34.01 77.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.297 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.473 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -80.08 -27.29 39.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.325 -179.747 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.86 138.47 2.31 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.509 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.04 -48.86 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.521 2.147 . . . . 0.0 112.36 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.76 HD11 HD11 ' C' ' 57' ' ' ILE . 2.7 tp -63.52 -46.06 87.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.989 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.923 ' CE1' HD21 ' A' ' 51' ' ' LEU . 22.5 t80 -57.58 -46.84 83.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.35 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -55.84 -39.25 71.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.285 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.29 96.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.37 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.786 HG12 HD21 ' C' ' 53' ' ' LEU . 4.0 mt -59.84 -42.77 90.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.738 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.923 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -69.45 -37.59 77.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.471 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 83.9 m -53.71 -48.9 69.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.185 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.769 HD21 HG12 ' C' ' 50' ' ' ILE . 1.1 tt -61.78 -51.06 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.037 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.653 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -58.87 -31.1 68.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.599 179.681 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -66.72 -39.5 88.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.219 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -39.52 93.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.845 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.677 HG21 HG21 ' B' ' 131' ' ' ILE . 1.5 mt -62.5 -41.0 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.273 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -59.19 -43.83 92.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.331 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -58.98 -42.42 89.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.385 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.592 HD13 HD21 ' C' ' 46' ' ' LEU . 2.1 mt -58.64 -41.43 86.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.781 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.624 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 8.8 mtmm -63.96 -44.6 92.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.891 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.806 0.336 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.683 HG22 ' H ' ' B' ' 84' ' ' LEU . 1.2 mm -88.22 -172.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.355 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.779 ' CD2' HD22 ' B' ' 89' ' ' LEU . 13.6 tp -153.32 -36.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.502 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.58 108.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.937 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -52.81 -26.17 10.2 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.149 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.75 -49.12 76.29 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.074 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -34.07 60.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.258 0.551 . . . . 0.0 109.694 178.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.779 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.23 -29.24 64.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.397 179.298 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 8.8 t80 -72.23 -50.48 27.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.028 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 1.1 m -63.74 -27.08 68.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.492 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.0 m -65.52 -50.82 63.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.666 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.771 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.8 OUTLIER -59.69 -38.93 82.92 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.676 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.418 ' HE3' ' CE1' ' B' ' 90' ' ' PHE . 1.1 mptm? -59.4 -38.65 81.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.578 179.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' B' ' 95' ' ' HIS . 0.6 OUTLIER -70.26 -49.14 52.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.161 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' B' ' 93' ' ' LEU . 17.3 mt -53.52 -45.51 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.117 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.848 ' HA ' HD13 ' B' ' 109' ' ' ILE . 1.4 tt0 -58.62 -49.1 78.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.021 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -1.08 48.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 110.586 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . 0.437 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.8 m -101.23 -31.52 10.96 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.453 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 1.002 HD21 HD23 ' C' ' 23' ' ' LEU . 53.3 mt -92.07 -50.25 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.191 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.52 39.46 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.522 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.6 OUTLIER -101.16 20.1 16.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 179.731 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.2 t 65.73 -71.69 0.08 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.796 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' B' ' 102' ' ' ASP . 65.6 tp60 -59.95 -30.6 69.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.171 0.51 . . . . 0.0 110.048 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.802 ' O ' HD12 ' B' ' 109' ' ' ILE . 2.5 m -70.31 -39.95 74.49 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.534 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -33.91 76.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.015 0.436 . . . . 0.0 110.244 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -40.96 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.499 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.761 ' HB3' HG13 ' C' ' 15' ' ' VAL . 50.6 m-20 -70.61 -43.65 68.88 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.974 HD11 HD12 ' B' ' 100' ' ' LEU . 5.4 mt -59.43 -49.2 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.369 178.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.587 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.1 m -56.69 -34.29 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.07 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.602 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -58.01 -51.29 70.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.994 178.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.834 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.3 mt -63.66 -40.62 97.3 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.652 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.4 mt -58.46 -43.97 89.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.728 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.425 ' HA ' ' OE1' ' B' ' 117' ' ' GLN . 4.9 mt-30 -61.01 -47.44 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.992 0.425 . . . . 0.0 110.693 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.458 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.5 mp -61.24 -46.15 91.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.728 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.937 HG13 HG12 ' B' ' 86' ' ' ILE . 84.8 t -59.95 -47.58 91.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.215 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.527 ' HG2' ' CZ ' ' B' ' 90' ' ' PHE . 5.7 mt-30 -71.65 -23.63 61.72 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.553 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 19.1 t-20 -51.48 127.46 20.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . 0.567 ' HE3' ' HB1' ' D' ' 130' ' ' ALA . 2.7 tttm -52.93 -59.04 5.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.143 -178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.52 -50.42 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.117 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.553 ' HB3' ' HB3' ' B' ' 118' ' ' ASN . 11.3 t80 -56.01 -51.19 68.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -39.64 60.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . 0.461 ' O ' HG13 ' B' ' 127' ' ' ILE . 4.0 m-20 -67.37 -46.89 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.639 ' HB2' ' NE2' ' C' ' 54' ' ' GLN . . . -56.58 -48.97 76.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.669 ' CG ' HD12 ' B' ' 86' ' ' ILE . 13.2 t80 -60.72 -36.76 79.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.055 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -38.98 91.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.542 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.67 HG22 HD12 ' B' ' 131' ' ' ILE . 6.8 mt -64.7 -49.3 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.996 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.605 ' O ' ' HB ' ' B' ' 132' ' ' THR . 15.4 t-80 -67.34 -30.61 70.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.181 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.894 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.4 t30 -64.27 -60.83 2.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.06 -52.1 46.31 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.677 HG21 HG21 ' A' ' 57' ' ' ILE . 50.2 mt -53.59 -36.8 29.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.524 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.605 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.9 OUTLIER -61.64 -52.42 64.44 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.807 0.813 . . . . 0.0 108.823 178.062 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.894 HG23 ' O ' ' B' ' 129' ' ' ASN . 15.5 t -54.53 -47.89 70.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.449 -1.251 . . . . 0.0 110.648 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -63.81 -32.6 74.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.534 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 29.7 ttm -57.84 -56.79 17.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.814 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.97 -179.923 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.794 0.33 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.587 ' O ' HG23 ' C' ' 12' ' ' VAL . 1.6 mm-40 -68.05 -49.05 63.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 5.4 ttpt -58.76 -44.31 90.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.713 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.7 tpt -61.23 -39.25 89.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.995 0.426 . . . . 0.0 109.864 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.555 ' O ' HG23 ' C' ' 15' ' ' VAL . 33.2 tp60 -72.41 -32.77 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.528 178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.602 HG22 HD23 ' B' ' 111' ' ' LEU . 21.8 t -62.45 -55.11 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.467 179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.886 ' HA ' HD12 ' C' ' 16' ' ' LEU . 16.5 mt -57.95 -44.44 86.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.929 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -28.38 68.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.643 178.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.833 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.2 t -72.93 -40.51 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.833 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.886 HD12 ' HA ' ' C' ' 13' ' ' LEU . 6.1 mt -62.23 -40.0 94.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.37 -43.37 73.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.776 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -54.4 39.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.545 HD12 HD11 ' B' ' 112' ' ' LEU . 79.5 mt -52.26 -53.92 37.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 110.571 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.717 ' CA ' HD12 ' C' ' 35' ' ' LEU . 3.2 tpt85 -49.91 -41.69 46.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.667 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.3 -48.42 83.7 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.029 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.595 ' CB ' HD22 ' B' ' 100' ' ' LEU . 6.3 mmtp -57.01 -38.53 73.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.017 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 1.002 HD23 HD21 ' B' ' 100' ' ' LEU . 23.6 mt -64.41 -50.53 67.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.781 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -26.81 62.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.413 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.43 -33.24 28.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.616 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.413 ' HD2' ' O ' ' C' ' 22' ' ' LYS . 6.5 mptt -81.81 -32.44 31.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.418 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.39 12.94 7.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.659 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 2.9 m-20 -103.87 79.66 1.67 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 110.097 179.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.23 17.23 8.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.15 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 51.6 m -87.31 -51.28 6.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.494 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -72.21 -24.74 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.604 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -46.75 -47.6 20.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.018 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.86 -32.47 65.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.98 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -70.18 -39.33 75.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.114 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.717 HD12 ' CA ' ' C' ' 20' ' ' ARG . 3.3 mt -65.63 -33.15 75.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.387 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.15 -33.95 56.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.909 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.733 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.47 -42.35 65.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.515 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.502 ' HD2' HD21 ' C' ' 16' ' ' LEU . 3.2 t80 -73.63 -38.94 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.549 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.766 ' HA ' HD13 ' C' ' 16' ' ' LEU . 28.4 t80 -66.06 -53.64 35.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.112 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.441 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 12.8 mt-10 -60.24 -45.34 93.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.895 HG22 ' CD2' ' C' ' 47' ' ' PHE . 87.8 m -56.41 -43.33 79.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.403 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.546 ' HB3' HD21 ' C' ' 13' ' ' LEU . 3.0 mt -59.19 -37.04 76.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.041 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.48 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.5 OUTLIER -73.99 -29.03 61.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.883 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.08 142.02 4.23 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.15 -46.31 1.11 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.44 2.093 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.592 HD21 HD13 ' A' ' 60' ' ' LEU . 3.2 mm? -57.91 -55.37 35.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.038 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.895 ' CD2' HG22 ' C' ' 41' ' ' THR . 1.9 t80 -54.87 -47.64 73.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.857 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.61 -33.54 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.416 ' HB3' HD11 ' A' ' 53' ' ' LEU . 9.2 tt0 -70.47 -37.78 74.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.576 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.769 HG12 HD21 ' A' ' 53' ' ' LEU . 31.5 mt -64.68 -42.54 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.012 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.788 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -68.38 -37.89 80.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.862 0.363 . . . . 0.0 110.17 179.634 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 62.8 m -53.95 -49.01 69.68 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.786 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -59.19 -43.29 92.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.461 178.412 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.639 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -62.43 -33.2 74.33 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.63 178.71 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.16 -40.7 94.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.801 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 14.4 t -60.85 -50.55 72.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.863 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.892 HG21 HG21 ' D' ' 131' ' ' ILE . 49.7 mt -59.91 -35.85 63.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.931 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -40.07 87.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.205 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -39.32 92.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.125 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' C' ' 57' ' ' ILE . 2.3 mt -55.99 -47.23 78.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.607 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . 0.592 ' HE3' HG23 ' D' ' 131' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.867 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.718 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.207 0 CA-C-O 121.327 0.584 . . . . 0.0 111.436 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 0.971 HD13 ' HB3' ' A' ' 37' ' ' ALA . 2.6 tp 179.64 53.39 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.163 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' D' ' 84' ' ' LEU . 0.6 OUTLIER -34.39 121.05 0.48 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.476 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.938 HG12 HG13 ' D' ' 116' ' ' VAL . 0.7 OUTLIER -48.91 -28.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.356 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.33 -50.37 74.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.191 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -37.11 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.279 0.561 . . . . 0.0 109.646 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.855 HD23 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -66.8 -29.3 69.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.224 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -69.46 -50.02 49.51 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.204 0.526 . . . . 0.0 109.601 178.756 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 91.1 p -58.65 -31.22 67.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.028 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . 0.543 ' C ' HD12 ' D' ' 96' ' ' ILE . 0.3 OUTLIER -63.82 -52.43 60.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.452 179.523 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.732 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -61.65 -40.58 95.42 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.328 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . 0.428 ' HE2' HD22 ' D' ' 113' ' ' LEU . 33.5 mmtt -59.81 -38.73 82.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.497 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . 0.4 ' CD2' ' CD ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -72.2 -48.74 40.83 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.335 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.716 HG23 HD21 ' A' ' 23' ' ' LEU . 14.1 mt -54.6 -44.49 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.522 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.915 ' HA ' HD13 ' D' ' 109' ' ' ILE . 14.7 pt20 -61.76 -44.57 96.63 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.654 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . 0.411 ' N ' ' HG3' ' D' ' 97' ' ' GLN . 1.0 OUTLIER -84.31 -0.88 54.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.919 0.39 . . . . 0.0 110.564 179.162 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.3 m -101.44 -33.93 9.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.401 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 1.096 HD12 HD11 ' D' ' 109' ' ' ILE . 75.7 mt -87.67 -50.81 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.466 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.35 41.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.503 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.5 OUTLIER -103.92 21.3 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.628 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.38 -73.27 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.555 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -58.76 -29.85 67.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.14 0.495 . . . . 0.0 109.811 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.83 ' O ' HD12 ' D' ' 109' ' ' ILE . 1.6 m -69.83 -42.25 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.364 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -31.38 72.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.092 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.6 -41.6 68.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.757 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.812 ' HB3' HG13 ' A' ' 15' ' ' VAL . 24.8 m-20 -70.58 -44.82 66.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 1.096 HD11 HD12 ' D' ' 100' ' ' LEU . 5.2 mt -59.64 -49.04 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.441 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.6 ' HA ' HD12 ' D' ' 113' ' ' LEU . 27.9 t -56.67 -33.81 66.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.067 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.646 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -59.26 -51.32 70.45 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.039 179.125 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.877 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.5 mt -61.7 -43.15 99.41 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.636 ' CD1' HG22 ' D' ' 109' ' ' ILE . 4.5 mt -55.87 -49.61 72.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.589 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . 0.421 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 6.7 mt-30 -61.32 -43.12 99.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.229 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.706 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.9 mp -61.08 -40.05 92.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.567 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.938 HG13 HG12 ' D' ' 86' ' ' ILE . 64.2 t -66.13 -53.85 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.407 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -65.15 -16.29 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.844 -179.484 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 1.0 OUTLIER -54.07 129.38 34.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.736 0.303 . . . . 0.0 110.698 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -58.63 7.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.584 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -44.7 88.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.485 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 19.1 t80 -60.14 -56.14 25.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.573 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . 0.559 ' NE2' HG21 ' D' ' 86' ' ' ILE . 0.2 OUTLIER -52.67 -31.88 39.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.435 179.54 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.451 ' HB3' HD13 ' B' ' 127' ' ' ILE . 14.6 m-20 -66.42 -49.83 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.768 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.653 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.867 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.45 ' CD1' HD12 ' D' ' 86' ' ' ILE . 4.5 t80 -59.82 -34.6 73.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.063 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -41.62 87.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.857 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 0.63 HD11 ' CD1' ' B' ' 127' ' ' ILE . 55.6 mt -61.3 -49.74 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.984 0.421 . . . . 0.0 110.876 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.7 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.6 t-80 -66.28 -45.54 80.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.162 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.902 ' O ' HG23 ' D' ' 133' ' ' VAL . 1.3 t30 -54.91 -60.19 3.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . 0.567 ' HB1' ' HE3' ' B' ' 119' ' ' LYS . . . -60.74 -52.15 66.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.892 HG21 HG21 ' C' ' 57' ' ' ILE . 82.2 mt -57.29 -42.7 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.322 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.718 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -62.08 -46.39 89.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.184 0.516 . . . . 0.0 109.879 179.218 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.902 HG23 ' O ' ' D' ' 129' ' ' ASN . 88.5 t -52.78 -51.19 38.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.651 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -30.72 71.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.303 179.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 22.3 ttm . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.987 179.858 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.587 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.4 mm-40 -60.45 -52.91 63.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -57.85 -43.53 85.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.572 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.3 mmt -61.46 -45.53 93.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.042 0.449 . . . . 0.0 109.878 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.658 ' O ' HG23 ' A' ' 15' ' ' VAL . 28.8 tp60 -66.19 -32.85 74.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.734 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 8' ' ' GLU . 12.7 t -59.94 -54.98 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.644 179.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.877 ' HA ' HD12 ' A' ' 16' ' ' LEU . 18.5 mt -56.73 -45.53 81.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -29.34 68.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.854 HG11 HD21 ' D' ' 112' ' ' LEU . 3.3 t -72.46 -36.11 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.622 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 13' ' ' LEU . 11.5 mt -64.16 -43.58 94.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.717 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.74 -48.27 79.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.855 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -54.91 41.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.432 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.715 HD22 HD12 ' D' ' 100' ' ' LEU . 91.6 mt -55.34 -54.64 41.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.52 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.624 ' N ' HD12 ' A' ' 35' ' ' LEU . 4.4 tmm_? -51.66 -37.24 49.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.929 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.64 -48.94 83.73 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.124 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.525 ' HB3' HD22 ' D' ' 100' ' ' LEU . 9.9 mttm -59.9 -41.12 90.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.57 0.224 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 31.6 mt -57.0 -50.38 72.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.162 0.505 . . . . 0.0 110.375 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -61.37 -26.5 67.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.129 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.75 -33.28 27.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.05 0.452 . . . . 0.0 110.548 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' D' ' 100' ' ' LEU . 0.0 OUTLIER -81.18 -33.26 33.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.436 -179.734 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.05 -12.35 9.21 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.521 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -76.43 79.17 3.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 109.934 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.568 HG22 HD21 ' A' ' 32' ' ' ASN . 0.3 OUTLIER -89.57 23.95 2.45 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.708 179.419 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.9 m -101.57 -48.44 4.33 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.435 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -75.08 -24.86 58.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.742 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.568 HD21 HG22 ' A' ' 29' ' ' THR . 33.8 p-10 -53.04 -43.98 67.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.683 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.11 -32.78 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.164 0.507 . . . . 0.0 110.056 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -66.7 -45.3 79.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.149 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 20' ' ' ARG . 2.0 mt -60.88 -31.03 70.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.447 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.0 m -77.19 -36.27 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.88 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.088 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -69.29 -42.42 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.279 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' HD2' HD21 ' A' ' 16' ' ' LEU . 46.0 t80 -71.41 -51.06 26.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.016 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.635 ' CA ' HD13 ' A' ' 16' ' ' LEU . 9.1 t80 -55.28 -54.24 46.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.471 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HA ' ' HG3' ' A' ' 43' ' ' LYS . 6.5 mm-40 -59.97 -52.6 64.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.099 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.3 m -54.75 -29.2 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.011 0.434 . . . . 0.0 110.255 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -69.78 -36.01 75.38 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.405 179.246 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.859 ' HE2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -68.57 -31.5 70.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.26 179.689 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -44.59 130.27 4.96 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.241 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.11 -39.55 7.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.524 2.15 . . . . 0.0 112.397 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.717 HD11 HD11 ' C' ' 57' ' ' ILE . 1.7 tp -62.13 -50.66 71.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.213 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CE1' HD21 ' A' ' 51' ' ' LEU . 10.7 t80 -57.7 -42.0 82.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -57.14 -40.59 77.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.319 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.517 ' NE2' HD12 ' C' ' 53' ' ' LEU . 0.0 OUTLIER -62.38 -40.21 95.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.229 179.476 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.795 HG12 HD21 ' C' ' 53' ' ' LEU . 3.9 mt -58.1 -46.58 88.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.732 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.607 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -63.98 -38.0 89.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.268 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.8 m -53.77 -51.54 63.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.458 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.03 -48.77 79.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.18 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.717 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -58.88 -34.59 71.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.563 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -40.29 96.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.288 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -41.78 99.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.858 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.782 HG21 HG21 ' B' ' 131' ' ' ILE . 1.7 mt -60.25 -41.24 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.151 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -59.16 -41.45 88.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.843 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.39 89.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.165 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.687 ' CD1' HD21 ' C' ' 46' ' ' LEU . 1.2 mt -57.47 -43.74 84.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.551 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -65.63 -29.91 70.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.183 -179.7 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.473 ' C ' HD13 ' B' ' 83' ' ' ILE . 1.5 mmtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.673 0.273 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.694 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.0 OUTLIER -99.64 -160.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 0.0 111.088 -179.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 1.022 HD13 ' HB3' ' C' ' 37' ' ' ALA . 27.5 tp -159.83 -33.95 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.284 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' B' ' 84' ' ' LEU . 0.3 OUTLIER 53.55 109.27 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.843 0.354 . . . . 0.0 111.014 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.976 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -52.03 -25.57 6.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.928 -179.365 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.68 -45.5 89.78 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.297 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -34.41 49.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.786 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.13 -30.45 65.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.37 179.317 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.564 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 15.4 t80 -72.19 -48.85 40.06 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.852 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -31.27 71.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.54 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . 0.84 ' O ' HD12 ' B' ' 96' ' ' ILE . 4.6 t -62.4 -53.43 54.99 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.389 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.6 OUTLIER -56.14 -36.23 68.02 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.315 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . 0.447 ' HA ' ' HG2' ' B' ' 97' ' ' GLN . 22.4 mmtt -59.89 -38.95 83.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.834 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.415 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 2.2 t60 -72.25 -53.15 13.38 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.84 HD12 ' O ' ' B' ' 92' ' ' SER . 3.6 mt -54.48 -34.97 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.947 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.905 ' HA ' HD13 ' B' ' 109' ' ' ILE . 5.3 pt20 -70.11 -40.18 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.435 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.468 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -80.8 -21.02 41.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.302 179.039 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -85.06 -40.15 17.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.025 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.789 HD12 HD11 ' B' ' 109' ' ' ILE . 68.8 mt -95.07 88.22 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.97 35.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.5 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.19 13.69 18.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.858 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 69.42 -67.56 0.22 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.838 0.351 . . . . 0.0 111.327 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -56.07 -33.13 64.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.698 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.752 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.3 OUTLIER -68.54 -39.01 81.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.695 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.54 -34.12 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.269 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' B' ' 108' ' ' ASP . 0.0 OUTLIER -70.3 -39.79 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.51 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.781 ' HB3' HG13 ' C' ' 15' ' ' VAL . 18.7 m-20 -70.94 -44.29 66.44 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.905 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.9 mt -58.97 -49.14 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.662 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.606 ' HA ' HD12 ' B' ' 113' ' ' LEU . 26.7 t -55.27 -37.57 67.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.237 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.408 ' CD2' HG22 ' C' ' 12' ' ' VAL . 2.4 tt -57.02 -51.12 70.53 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.02 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.857 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.9 mt -61.37 -42.11 98.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.633 ' CD1' HG22 ' B' ' 109' ' ' ILE . 4.8 mt -57.05 -46.98 82.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.718 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . 0.404 ' HA ' ' CG ' ' B' ' 117' ' ' GLN . 4.5 mt-30 -60.82 -43.66 97.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.593 ' CD2' HG21 ' C' ' 12' ' ' VAL . 6.4 mp -61.13 -42.24 98.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.326 0.584 . . . . 0.0 109.485 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.976 HG13 HG12 ' B' ' 86' ' ' ILE . 72.0 t -63.28 -53.66 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.592 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' B' ' 113' ' ' LEU . 0.2 OUTLIER -64.64 -19.74 65.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.727 -179.238 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.471 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 36.2 t30 -56.31 146.04 25.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.776 0.322 . . . . 0.0 110.564 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -58.61 3.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.865 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.36 -50.39 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.959 0.409 . . . . 0.0 111.137 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 10.0 t80 -58.53 -43.95 89.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.517 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.9 -35.48 66.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.692 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . 0.47 ' O ' HG13 ' B' ' 127' ' ' ILE . 1.4 m-80 -68.04 -51.75 43.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.603 ' HA ' HG21 ' C' ' 50' ' ' ILE . . . -56.87 -39.66 74.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.07 0.462 . . . . 0.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.573 ' CG ' HD12 ' B' ' 86' ' ' ILE . 10.4 t80 -68.76 -39.42 80.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.428 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -43.73 74.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.223 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 1.03 ' CD1' HD11 ' D' ' 127' ' ' ILE . 60.4 mt -60.05 -50.01 81.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.693 ' O ' ' HB ' ' B' ' 132' ' ' THR . 26.8 t-80 -62.08 -46.73 87.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.003 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.93 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.9 m-80 -55.2 -60.71 3.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.976 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . 0.655 ' HB1' ' HE2' ' D' ' 119' ' ' LYS . . . -61.47 -52.16 65.67 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.782 HG21 HG21 ' A' ' 57' ' ' ILE . 42.8 mt -56.65 -42.04 75.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.179 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.694 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.5 OUTLIER -59.64 -42.83 93.64 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.93 HG23 ' O ' ' B' ' 129' ' ' ASN . 45.3 t -52.72 -50.0 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.393 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -63.5 -31.7 72.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.107 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.22 -42.19 85.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.599 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.89 179.833 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.88 0.371 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.802 ' O ' HG23 ' C' ' 12' ' ' VAL . 3.9 mt-10 -66.47 -45.0 81.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.413 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -59.16 -44.17 92.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.6 tpt -61.57 -49.27 77.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.017 0.437 . . . . 0.0 110.023 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.773 ' O ' HG23 ' C' ' 15' ' ' VAL . 27.1 tp60 -63.05 -33.62 75.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.698 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.802 HG23 ' O ' ' C' ' 8' ' ' GLU . 23.7 t -60.18 -55.51 23.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.586 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.784 ' HA ' HD12 ' C' ' 16' ' ' LEU . 14.2 mt -53.88 -43.88 69.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 110.361 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.7 -28.23 66.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.92 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.781 HG13 ' HB3' ' B' ' 108' ' ' ASP . 16.1 t -74.07 -39.1 50.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.091 179.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' C' ' 13' ' ' LEU . 7.9 mt -64.5 -41.44 96.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.925 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -69.33 -44.11 72.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.695 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -54.14 39.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.06 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.677 HD12 HD11 ' B' ' 112' ' ' LEU . 70.9 mt -53.86 -57.4 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 0.0 110.787 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.747 ' N ' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -55.57 -29.84 59.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.799 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.3 -45.95 88.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.816 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.441 ' HB3' HD22 ' B' ' 100' ' ' LEU . 2.5 mtpp -62.28 -38.34 88.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.731 0.301 . . . . 0.0 110.711 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.657 HD21 HG23 ' B' ' 96' ' ' ILE . 26.9 mt -60.8 -50.14 74.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.962 0.411 . . . . 0.0 110.357 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.419 ' HG3' ' ND2' ' C' ' 32' ' ' ASN . 0.0 OUTLIER -58.94 -29.31 67.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.894 179.091 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -82.45 -31.78 29.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.544 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.462 ' CE ' HD23 ' B' ' 100' ' ' LEU . 0.6 OUTLIER -81.38 -29.77 33.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.078 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.26 21.19 4.15 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.659 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -116.74 83.59 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.151 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.18 17.51 10.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.391 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 2.8 m -93.89 -46.73 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.416 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.583 ' HB3' HD11 ' B' ' 96' ' ' ILE . 4.5 mp0 -73.02 -22.3 60.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.774 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . 0.419 ' ND2' ' HG3' ' C' ' 24' ' ' GLN . 2.5 m-20 -56.71 -40.03 74.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -56.89 -32.8 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.114 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -73.35 -41.87 62.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.249 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.747 HD12 ' N ' ' C' ' 20' ' ' ARG . 1.3 mt -67.47 -33.26 74.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.415 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 17.7 m -75.5 -31.2 60.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.819 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 1.022 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -74.63 -49.33 21.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.357 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.711 ' CE1' HD11 ' C' ' 42' ' ' LEU . 2.1 t80 -63.37 -47.3 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.277 0.561 . . . . 0.0 110.035 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.668 ' HA ' HD13 ' C' ' 16' ' ' LEU . 47.9 t80 -56.63 -53.89 52.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.2 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.434 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 0.8 OUTLIER -62.71 -44.3 96.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.65 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.691 HG22 ' CD2' ' C' ' 47' ' ' PHE . 87.9 m -59.8 -34.39 72.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.527 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.711 HD11 ' CE1' ' C' ' 38' ' ' PHE . 3.6 mt -68.99 -34.36 75.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.059 0.457 . . . . 0.0 110.228 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.455 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 0.5 OUTLIER -74.89 -31.01 61.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.0 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -46.61 146.38 2.53 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.356 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.89 -45.65 2.01 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.578 2.185 . . . . 0.0 112.365 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.687 HD21 ' CD1' ' A' ' 60' ' ' LEU . 3.7 mm? -57.93 -55.34 36.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.819 ' CD1' HD21 ' C' ' 51' ' ' LEU . 8.5 t80 -52.66 -50.6 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -55.4 -34.1 64.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.294 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -67.89 -41.92 82.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.949 0.404 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.603 HG21 ' HA ' ' B' ' 124' ' ' ALA . 3.0 mt -63.0 -36.83 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.819 HD21 ' CD1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -69.67 -36.61 76.17 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.497 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -56.22 -47.74 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.795 HD21 HG12 ' A' ' 50' ' ' ILE . 1.2 tp -61.41 -44.24 97.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.69 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -35.33 76.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.88 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.77 -36.42 83.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.607 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 35.3 m -60.77 -52.18 66.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.701 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 1.04 HG21 HG21 ' D' ' 131' ' ' ILE . 52.6 mt -60.26 -35.77 64.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.796 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -35.26 74.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.613 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -39.98 82.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.839 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.6 mt -53.21 -52.33 59.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.559 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.066 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.564 ' N ' HD13 ' D' ' 83' ' ' ILE . 1.1 mm . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.948 0.404 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 1.088 HD13 ' HB3' ' A' ' 37' ' ' ALA . 54.8 tp -120.36 -40.29 2.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.997 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.51 104.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.839 HG12 HG13 ' D' ' 116' ' ' VAL . 0.7 OUTLIER -49.86 -27.01 3.16 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.375 -179.628 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -48.89 79.03 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.221 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -35.5 60.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.78 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.705 ' O ' HD12 ' D' ' 89' ' ' LEU . 0.1 OUTLIER -71.34 -28.37 64.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.45 179.455 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.532 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.9 t80 -72.51 -50.28 27.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.858 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 8.5 t -63.36 -27.99 69.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.43 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . 0.433 ' C ' HD12 ' D' ' 96' ' ' ILE . 63.9 m -64.73 -52.48 56.85 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.731 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.694 HD21 HD12 ' D' ' 89' ' ' LEU . 0.8 OUTLIER -57.22 -37.92 72.98 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -59.44 -38.08 79.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.378 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.8 t60 -69.79 -54.42 13.72 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' D' ' 93' ' ' LEU . 7.0 mt -51.02 -39.8 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.923 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.815 ' HA ' HD13 ' D' ' 109' ' ' ILE . 2.3 tt0 -62.81 -47.7 82.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.11 -16.03 57.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.579 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . 0.449 HG22 HD23 ' D' ' 100' ' ' LEU . 1.2 m -87.26 -34.85 18.79 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.506 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.715 HD12 HD22 ' A' ' 19' ' ' LEU . 13.7 mt -90.11 -57.16 2.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.167 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.0 33.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.556 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.15 25.2 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.61 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t 66.74 -71.8 0.09 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.597 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -27.92 68.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.758 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.8 OUTLIER -72.55 -47.28 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.859 179.411 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -64.46 -30.42 71.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.754 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -39.62 63.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.076 0.465 . . . . 0.0 110.048 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.748 ' HB3' HG13 ' A' ' 15' ' ' VAL . 43.8 m-20 -70.85 -42.88 69.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.815 HD13 ' HA ' ' D' ' 97' ' ' GLN . 6.4 mt -62.31 -49.09 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.587 178.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.631 ' HA ' HD12 ' D' ' 113' ' ' LEU . 33.3 m -54.81 -37.23 65.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.208 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.49 HD23 HD23 ' D' ' 112' ' ' LEU . 6.2 tt -61.0 -45.22 95.71 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.854 HD21 HG11 ' A' ' 15' ' ' VAL . 4.2 mt -63.57 -41.19 98.4 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' D' ' 110' ' ' SER . 3.0 mt -60.43 -43.24 96.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.448 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . 0.571 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -61.95 -37.24 83.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.38 179.722 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.571 ' N ' ' HG3' ' D' ' 114' ' ' GLN . 4.0 mp -70.53 -50.17 40.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.74 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.839 HG13 HG12 ' D' ' 86' ' ' ILE . 47.3 t -61.08 -37.34 77.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.588 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 15.5 mt-30 -81.93 -20.35 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.645 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -51.59 146.53 7.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.642 0.258 . . . . 0.0 110.652 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . 0.655 ' HE2' ' HB1' ' B' ' 130' ' ' ALA . 0.0 OUTLIER -71.25 -58.76 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.395 -179.436 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . 0.404 ' HB3' ' CG ' ' A' ' 54' ' ' GLN . 2.1 m-20 -59.93 -46.07 90.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 111.122 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.5 t80 -56.07 -56.31 22.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 3.1 tt0 -52.98 -35.05 58.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.716 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.459 ' HB3' HG12 ' B' ' 127' ' ' ILE . 0.7 OUTLIER -59.7 -51.34 70.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.717 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -59.61 -49.17 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.695 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.592 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 2.8 t80 -56.86 -36.68 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.703 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 22.6 mmtt -62.76 -40.81 98.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.221 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 1.03 HD11 ' CD1' ' B' ' 127' ' ' ILE . 53.3 mt -58.92 -50.05 80.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.436 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.573 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.2 t-80 -69.54 -32.0 70.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.793 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.929 ' O ' HG23 ' D' ' 133' ' ' VAL . 1.8 m-20 -64.61 -60.88 2.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.681 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.09 -49.94 58.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.907 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 1.04 HG21 HG21 ' C' ' 57' ' ' ILE . 39.0 mt -53.49 -39.26 36.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.634 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.573 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.15 -52.53 63.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.231 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.929 HG23 ' O ' ' D' ' 129' ' ' ASN . 16.4 t -54.03 -44.75 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.774 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -63.22 -32.46 73.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.125 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 19.9 ttm . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.442 179.575 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.84 0.352 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.6 mm-40 -64.01 -30.73 71.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -61.66 -48.45 80.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.905 0.383 . . . . 0.0 110.244 179.598 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -38.35 87.99 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.596 ' NE2' HD13 ' D' ' 111' ' ' LEU . 7.7 tm0? -68.56 -32.49 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.644 178.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.619 HG21 HD22 ' D' ' 115' ' ' LEU . 2.7 t -61.76 -51.58 71.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.221 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.837 ' HA ' HD12 ' A' ' 16' ' ' LEU . 15.0 mt -59.29 -40.05 84.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.836 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -28.14 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.615 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.795 HG11 HD21 ' D' ' 112' ' ' LEU . 3.5 t -74.42 -38.44 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.012 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 13' ' ' LEU . 11.6 mt -64.24 -38.88 92.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -72.33 -38.66 68.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.742 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -70.16 -54.2 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.591 HD12 HD11 ' D' ' 112' ' ' LEU . 84.7 mt -53.61 -53.49 51.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.997 0.427 . . . . 0.0 110.408 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.703 ' N ' HD12 ' A' ' 35' ' ' LEU . 4.7 tmm_? -53.11 -43.85 67.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.068 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.24 -42.85 93.63 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.345 -0.931 . . . . 0.0 111.864 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' LYS . 3.5 mttm -61.79 -42.15 98.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.595 0.236 . . . . 0.0 110.738 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.564 HD11 HG12 ' D' ' 96' ' ' ILE . 35.1 mt -58.6 -50.57 73.34 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 110.737 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -32.76 64.21 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -83.14 -26.13 31.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.626 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LYS . 7.9 mttt -82.31 -31.06 30.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.203 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.26 12.45 10.87 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.253 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -107.56 83.94 1.89 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.84 29.82 2.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.0 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -105.46 -51.94 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.509 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -73.71 -23.2 59.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.457 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -49.8 -38.77 35.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.945 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.32 -32.59 72.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.095 0.474 . . . . 0.0 110.027 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -42.89 74.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.347 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.703 HD12 ' N ' ' A' ' 20' ' ' ARG . 1.3 mt -63.58 -30.73 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.494 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.7 p -77.4 -38.69 49.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.01 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.797 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.52 -39.95 73.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.456 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.45 ' CA ' HD22 ' D' ' 84' ' ' LEU . 2.3 t80 -73.84 -34.04 64.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.34 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.636 ' HA ' HD13 ' A' ' 16' ' ' LEU . 55.8 t80 -69.71 -53.07 20.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.6 -50.13 75.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.044 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.516 HG22 ' CD2' ' A' ' 47' ' ' PHE . 74.3 m -55.4 -45.49 76.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.705 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -58.93 -35.7 73.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.08 0.467 . . . . 0.0 110.391 179.413 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG3' HD13 ' A' ' 13' ' ' LEU . 15.7 mtpt -76.32 -32.86 58.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.461 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 t -44.51 135.84 4.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.331 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.64 -41.34 15.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.47 2.113 . . . . 0.0 112.22 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.697 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.3 OUTLIER -62.13 -52.67 62.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.233 179.639 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.896 ' CE1' HD21 ' A' ' 51' ' ' LEU . 19.3 t80 -57.53 -44.95 85.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.514 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -39.13 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.743 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -62.7 -42.24 99.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.444 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.834 HG12 HD21 ' C' ' 53' ' ' LEU . 34.8 mt -58.54 -45.08 90.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.896 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -69.59 -34.86 74.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.514 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.2 m -53.91 -50.91 65.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.972 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.869 HD21 HG12 ' C' ' 50' ' ' ILE . 0.5 OUTLIER -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.809 178.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -60.14 -31.44 70.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.324 179.35 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -39.96 86.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.212 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -60.81 -45.46 94.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.931 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.79 HG21 HG21 ' B' ' 131' ' ' ILE . 7.0 mt -60.79 -37.18 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.277 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -39.56 86.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.904 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -40.25 96.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.115 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -55.58 -47.54 76.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.523 179.361 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.432 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 9.6 mtmt -59.07 -52.86 63.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.528 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.834 0.349 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.58 ' N ' HD13 ' B' ' 83' ' ' ILE . 0.1 OUTLIER -99.42 -159.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 111.101 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.86 HD13 ' HB3' ' C' ' 37' ' ' ALA . 7.8 tp -173.62 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.495 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.81 115.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.904 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -56.98 -26.59 24.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.451 -179.856 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.26 -48.01 79.97 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.477 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -34.61 55.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 109.809 178.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.791 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.34 -29.91 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.553 179.549 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.55 -48.03 43.44 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 22.5 p -62.57 -30.1 71.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.567 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . 0.828 ' O ' HD12 ' B' ' 96' ' ' ILE . 1.3 m -63.97 -53.26 52.93 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.417 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.735 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.6 OUTLIER -56.35 -36.3 68.62 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.325 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -58.97 -43.55 91.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.671 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -67.36 -55.98 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.828 HD12 ' O ' ' B' ' 92' ' ' SER . 4.1 mt -50.93 -33.75 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.19 -0.913 . . . . 0.0 111.072 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.638 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -65.38 -48.92 71.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.973 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -77.28 -22.15 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.382 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.06 -33.86 26.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.976 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.661 HD12 HD11 ' B' ' 109' ' ' ILE . 95.4 mt -102.71 85.27 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.94 36.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.286 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -92.79 15.82 13.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.946 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . 0.408 ' HA ' ' HG3' ' B' ' 106' ' ' GLN . 0.5 OUTLIER 68.35 -68.12 0.18 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.779 0.323 . . . . 0.0 111.269 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -36.56 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.048 0.452 . . . . 0.0 110.686 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.796 ' O ' HD12 ' B' ' 109' ' ' ILE . 50.4 m -67.59 -37.56 82.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . 0.408 ' HG3' ' HA ' ' B' ' 103' ' ' SER . 0.5 OUTLIER -63.32 -36.08 82.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.093 0.473 . . . . 0.0 110.195 179.439 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.52 -40.46 80.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.516 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.785 ' CG ' HG22 ' C' ' 15' ' ' VAL . 37.4 m-20 -70.28 -43.39 70.55 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.796 HD12 ' O ' ' B' ' 105' ' ' SER . 4.5 mt -59.28 -49.58 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.623 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.584 ' HA ' HD12 ' B' ' 113' ' ' LEU . 2.9 m -56.94 -34.12 67.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.865 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.652 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.91 -51.5 68.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.937 178.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.837 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.6 mt -63.53 -41.61 98.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.474 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.623 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.4 mt -57.77 -42.13 83.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.87 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.79 -49.5 76.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.936 0.398 . . . . 0.0 110.567 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.507 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.6 mp -61.79 -48.69 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.128 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.904 HG13 HG12 ' B' ' 86' ' ' ILE . 61.5 t -60.56 -37.27 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.587 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 75.4 mt-30 -85.79 -11.14 54.24 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -60.43 146.62 43.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.68 0.276 . . . . 0.0 110.508 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . 0.738 ' HD2' ' HB1' ' D' ' 130' ' ' ALA . 0.0 OUTLIER -70.36 -58.69 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.176 -179.569 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.06 -47.48 85.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.72 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.1 t80 -55.87 -54.16 48.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.4 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -50.29 -38.24 40.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.751 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.01 -47.62 85.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.654 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.826 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.36 -49.19 78.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.265 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.593 ' CD1' HD12 ' B' ' 86' ' ' ILE . 11.5 t80 -62.33 -37.45 85.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.255 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -63.94 -38.72 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.764 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 1.064 HD11 HD11 ' D' ' 127' ' ' ILE . 9.3 mt -63.72 -49.63 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.696 ' O ' ' HB ' ' B' ' 132' ' ' THR . 26.0 t-80 -67.92 -39.28 83.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.822 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.845 ' O ' HG23 ' B' ' 133' ' ' VAL . 19.5 t-20 -55.32 -60.35 3.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.806 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.72 -51.52 48.31 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.79 HG21 HG21 ' A' ' 57' ' ' ILE . 70.5 mt -53.8 -43.73 57.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.528 0.204 . . . . 0.0 111.282 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.696 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.7 OUTLIER -60.14 -53.67 54.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.452 0.644 . . . . 0.0 109.536 178.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.845 HG23 ' O ' ' B' ' 129' ' ' ASN . 57.5 t -53.59 -48.09 59.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -31.59 72.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.362 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 11.3 ttm -59.11 -49.93 76.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.694 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.977 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.728 ' O ' HG23 ' C' ' 12' ' ' VAL . 13.0 mt-10 -64.57 -56.47 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.647 ' HE2' HD11 ' C' ' 13' ' ' LEU . 3.0 tmtt? -60.05 -43.41 95.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.601 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 5.1 mmt -61.41 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.852 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.496 ' NE2' HG23 ' C' ' 15' ' ' VAL . 32.2 tp60 -68.72 -34.09 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.627 178.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.728 HG23 ' O ' ' C' ' 8' ' ' GLU . 25.8 t -60.12 -56.35 18.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.718 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.679 ' HA ' HD12 ' C' ' 16' ' ' LEU . 17.2 mt -57.46 -41.7 81.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.099 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -28.5 67.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.444 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.785 HG22 ' CG ' ' B' ' 108' ' ' ASP . 2.2 t -73.69 -37.92 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.83 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' C' ' 13' ' ' LEU . 23.8 mt -64.17 -42.75 96.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.077 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -39.17 78.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mtp-105 -68.08 -48.0 66.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.767 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.717 HD12 HD11 ' B' ' 112' ' ' LEU . 33.9 mt -58.96 -57.53 12.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.649 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.755 ' HB3' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -56.74 -30.04 63.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.595 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.93 -47.15 86.0 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.6 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.411 ' HB3' ' CD2' ' B' ' 100' ' ' LEU . 0.5 OUTLIER -60.55 -38.51 84.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 110.265 179.467 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' C' ' 20' ' ' ARG . 33.2 mt -61.07 -50.11 74.6 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.505 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.453 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.1 OUTLIER -54.99 -32.13 61.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.6 -28.51 30.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.296 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.425 ' HE3' HD23 ' B' ' 100' ' ' LEU . 9.8 mttt -78.48 -33.05 48.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.055 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.41 13.5 8.87 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.326 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -112.57 85.43 2.16 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.027 0.441 . . . . 0.0 110.185 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.453 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -92.44 16.88 10.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.06 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m -88.1 -49.88 6.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.49 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.608 ' HB3' HD11 ' B' ' 96' ' ' ILE . 4.0 mp0 -74.51 -22.29 59.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -54.21 -44.9 72.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -56.94 -32.75 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.336 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -70.74 -44.65 66.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.35 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.755 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.6 mt -60.23 -30.84 69.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.426 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 4.3 t -77.17 -34.44 56.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.993 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.86 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -70.28 -44.28 68.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.429 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.546 ' CE2' HD11 ' C' ' 42' ' ' LEU . 61.6 t80 -70.64 -43.68 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.265 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.611 ' CA ' HD13 ' C' ' 16' ' ' LEU . 10.6 t80 -62.31 -53.57 53.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.093 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . 0.4 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 23.2 mm-40 -58.5 -50.62 73.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.884 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.447 HG22 ' CD2' ' C' ' 47' ' ' PHE . 63.7 m -57.09 -38.2 73.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.855 0.36 . . . . 0.0 110.413 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.628 ' HB3' HD21 ' C' ' 13' ' ' LEU . 0.2 OUTLIER -60.55 -35.57 76.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.149 0.5 . . . . 0.0 110.076 179.263 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.484 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -73.4 -30.49 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.089 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 15.1 m -46.37 135.98 7.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.37 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.04 -38.92 8.63 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.54 2.16 . . . . 0.0 111.984 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.691 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -63.84 -54.16 39.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.148 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.906 ' CE1' HD21 ' C' ' 51' ' ' LEU . 13.6 t80 -57.61 -45.71 85.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.319 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -57.22 -39.14 74.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.614 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -60.13 -43.45 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.317 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.869 HG12 HD21 ' A' ' 53' ' ' LEU . 11.3 mt -58.35 -45.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.638 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.906 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.56 -34.95 79.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.366 179.606 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -53.8 -52.64 59.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.064 0.459 . . . . 0.0 109.85 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.834 HD21 HG12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -59.73 -40.79 89.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.509 178.655 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.507 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 5.2 mm-40 -62.07 -36.29 81.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.247 179.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -62.45 -38.43 89.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.786 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.87 -47.64 85.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.707 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.834 HG21 HG21 ' D' ' 131' ' ' ILE . 6.2 mt -62.1 -36.38 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.225 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -59.28 -37.22 77.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.821 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -39.88 85.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.949 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.1 mt -53.21 -49.21 67.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.528 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.876 179.858 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.686 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 121.444 0.64 . . . . 0.0 111.783 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 0.797 HD13 ' HB3' ' A' ' 37' ' ' ALA . 8.7 tp -156.73 -34.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.793 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.76 111.77 0.01 OUTLIER 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.765 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.803 HG12 HG13 ' D' ' 116' ' ' VAL . 1.0 OUTLIER -53.82 -24.96 11.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.503 -179.59 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.38 -50.11 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.192 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -33.73 60.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.147 0.499 . . . . 0.0 109.739 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.751 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -72.13 -29.03 63.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.375 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.6 t80 -71.76 -49.57 37.85 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 5.6 m -61.64 -30.2 70.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.471 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -61.77 -53.1 60.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.273 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.8 OUTLIER -56.8 -37.88 71.78 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.482 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -37.18 78.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.475 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . 0.4 ' O ' ' HB ' ' D' ' 99' ' ' THR . 1.0 OUTLIER -71.26 -52.77 17.11 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.286 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' D' ' 93' ' ' LEU . 10.6 mt -53.05 -40.44 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.196 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.692 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -61.5 -53.55 54.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.223 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.44 -2.61 42.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.027 0.442 . . . . 0.0 110.477 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' D' ' 95' ' ' HIS . 1.5 m -98.5 -33.46 11.0 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.566 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.938 HD12 HD11 ' D' ' 109' ' ' ILE . 48.5 mt -91.13 -53.48 4.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.209 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.75 36.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.68 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -97.13 21.57 9.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.831 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 28.6 t 66.1 -71.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.924 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -34.06 72.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.177 0.513 . . . . 0.0 109.864 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.821 ' O ' HD12 ' D' ' 109' ' ' ILE . 87.9 p -67.98 -41.6 82.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.28 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . 0.403 ' NE2' ' NE2' ' D' ' 97' ' ' GLN . 0.4 OUTLIER -61.49 -32.41 72.43 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.002 0.43 . . . . 0.0 110.16 179.555 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -42.41 71.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.649 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.746 ' CG ' HG22 ' A' ' 15' ' ' VAL . 17.1 m-20 -70.64 -42.4 70.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.718 0.77 . . . . 0.0 108.977 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.938 HD11 HD12 ' D' ' 100' ' ' LEU . 5.1 mt -61.1 -49.24 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.589 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.658 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.2 m -57.67 -33.9 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.903 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.596 HD13 ' NE2' ' A' ' 11' ' ' GLN . 0.5 OUTLIER -58.13 -51.24 70.56 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.101 179.014 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.795 HD21 HG11 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -63.92 -38.27 90.45 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.799 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' D' ' 110' ' ' SER . 5.8 mt -60.88 -43.53 98.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.372 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.94 -52.67 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.619 HD22 HG21 ' A' ' 12' ' ' VAL . 1.8 pp -65.41 -35.66 81.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.35 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.803 HG13 HG12 ' D' ' 86' ' ' ILE . 19.8 t -65.48 -36.52 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 53.6 mt-30 -88.09 -12.81 43.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.847 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -51.56 139.07 21.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.643 0.259 . . . . 0.0 110.568 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -59.09 5.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.75 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -48.74 80.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 111.21 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.9 t80 -55.67 -51.6 66.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -53.03 -41.47 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.8 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.578 ' O ' HG13 ' D' ' 127' ' ' ILE . 0.5 OUTLIER -59.89 -51.83 68.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -179.766 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 50' ' ' ILE . . . -56.47 -49.18 75.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.677 ' CG ' HD12 ' D' ' 86' ' ' ILE . 9.5 t80 -55.99 -35.54 66.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -29.48 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 1.064 HD11 HD11 ' B' ' 127' ' ' ILE . 13.0 mt -66.4 -50.02 70.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.093 0.473 . . . . 0.0 110.551 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.639 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.2 t-80 -65.07 -44.78 87.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.836 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.84 ' O ' HG23 ' D' ' 133' ' ' VAL . 24.7 t-20 -55.51 -60.53 3.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.726 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . 0.738 ' HB1' ' HD2' ' B' ' 119' ' ' LYS . . . -59.09 -51.33 70.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.502 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.834 HG21 HG21 ' C' ' 57' ' ' ILE . 72.1 mt -57.28 -45.32 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.179 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.686 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -61.59 -48.33 81.42 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.182 0.515 . . . . 0.0 109.857 179.249 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.84 HG23 ' O ' ' D' ' 129' ' ' ASN . 85.0 t -55.52 -51.49 57.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.141 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -63.81 -30.77 71.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.988 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.9 ttm . . . . . 0 C--N 1.333 -0.147 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 179.713 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.8 0.333 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.768 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.3 mm-40 -64.79 -53.88 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 2.9 tmmm? -58.67 -41.81 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.596 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.8 tpt -61.3 -44.63 96.89 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.504 ' NE2' HG23 ' A' ' 15' ' ' VAL . 28.8 tp60 -66.53 -35.43 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.344 178.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 8' ' ' GLU . 55.1 t -59.97 -50.27 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.614 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.783 ' HA ' HD12 ' A' ' 16' ' ' LEU . 12.6 mt -57.64 -46.6 83.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.046 0.45 . . . . 0.0 109.932 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -28.34 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.76 178.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.813 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.3 t -73.13 -40.02 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.773 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 13' ' ' LEU . 10.8 mt -60.76 -42.09 96.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -41.31 71.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.657 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -63.57 -54.3 38.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.746 HD12 HD11 ' D' ' 112' ' ' LEU . 86.5 mt -52.98 -56.64 14.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.442 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.827 ' HA ' HD12 ' A' ' 23' ' ' LEU . 5.4 tmm_? -50.76 -36.47 36.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.885 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.12 -49.7 75.67 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.967 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.716 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.2 OUTLIER -61.36 -31.85 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 0.0 110.598 179.601 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.827 HD12 ' HA ' ' A' ' 20' ' ' ARG . 26.1 mt -68.4 -50.35 53.48 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.019 0.437 . . . . 0.0 110.42 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.475 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -58.45 -26.76 63.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.913 179.244 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.6 -31.66 28.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.464 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.759 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.5 OUTLIER -79.96 -33.15 39.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.257 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.64 19.16 5.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -116.06 81.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.145 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.475 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -91.55 13.15 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.186 179.659 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.4 m -78.64 -54.88 5.66 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.491 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.669 ' HB3' HD11 ' D' ' 96' ' ' ILE . 2.1 mp0 -67.17 -17.81 65.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.464 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.29 -52.85 15.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.75 -32.75 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.407 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -67.22 -40.08 86.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.161 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.706 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.2 mt -70.16 -32.12 69.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.602 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -34.46 55.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.956 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.846 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -73.08 -42.26 63.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.539 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.626 ' HD2' HD21 ' A' ' 16' ' ' LEU . 4.7 t80 -71.72 -37.43 70.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.233 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.672 ' HA ' HD13 ' A' ' 16' ' ' LEU . 17.8 t80 -65.95 -53.12 43.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.823 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -58.6 -47.89 82.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.964 HG22 ' CD2' ' A' ' 47' ' ' PHE . 48.9 m -56.83 -48.7 77.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.415 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.497 ' CD1' HD11 ' A' ' 16' ' ' LEU . 5.7 mt -52.47 -38.94 60.52 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.214 0.531 . . . . 0.0 110.247 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 26.5 mtpt -77.93 -29.24 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.345 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.405 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -42.29 135.79 2.42 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.466 -179.674 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 29.5 Cg_exo -61.21 -53.34 2.54 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.472 2.114 . . . . 0.0 112.567 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.53 HD11 HG12 ' C' ' 57' ' ' ILE . 1.4 mm? -57.52 -55.7 31.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.582 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.964 ' CD2' HG22 ' A' ' 41' ' ' THR . 5.2 t80 -54.96 -48.82 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -55.61 -32.67 63.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.439 ' HB3' HD11 ' C' ' 53' ' ' LEU . 0.0 OUTLIER -69.67 -40.36 76.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.6 179.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.846 HG12 HD21 ' C' ' 53' ' ' LEU . 17.7 mt -64.27 -42.6 95.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.118 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.736 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -68.83 -36.55 78.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.887 0.375 . . . . 0.0 110.103 179.525 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -53.94 -52.4 60.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.835 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' C' ' 49' ' ' GLN . 0.4 OUTLIER -58.29 -45.67 87.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.819 178.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.834 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -61.08 -33.03 72.69 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.266 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.31 -39.45 94.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.104 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.661 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.552 HG21 HG21 ' B' ' 131' ' ' ILE . 1.9 mt -60.3 -40.48 83.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.308 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -58.91 -44.34 91.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.229 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.25 -39.83 84.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.345 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.608 HD13 HD21 ' C' ' 46' ' ' LEU . 1.5 mt -59.93 -41.77 92.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.688 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -50.67 71.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.646 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.772 0.32 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.585 ' N ' HD13 ' B' ' 83' ' ' ILE . 0.8 OUTLIER -79.38 -160.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.559 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.906 HD13 ' HB3' ' C' ' 37' ' ' ALA . 26.7 tp -168.26 -36.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.313 . . . . 0.0 111.102 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 57.59 108.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.52 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.851 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -50.82 -25.05 2.97 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.854 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.86 -47.51 80.42 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.333 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -77.34 -34.32 55.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 0.0 109.832 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.22 -30.54 65.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.542 179.512 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.531 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.9 t80 -72.23 -48.51 42.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.751 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -28.91 70.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.516 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . 0.794 ' C ' HD12 ' B' ' 96' ' ' ILE . 4.9 t -64.51 -53.54 46.42 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.533 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.734 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.4 OUTLIER -58.04 -33.9 69.5 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -59.3 -44.9 92.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.697 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.461 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.8 t60 -68.21 -54.13 19.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' ILE . . . . . 0.794 HD12 ' C ' ' B' ' 92' ' ' SER . 4.9 mt -50.72 -34.33 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.937 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.658 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -64.0 -46.59 83.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.66 179.583 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -80.46 -20.07 44.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.366 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 2.0 m -84.26 -33.18 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.715 HD23 ' HE2' ' C' ' 26' ' ' LYS . 42.4 mt -112.09 76.01 0.95 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -94.46 36.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.161 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.85 16.28 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.999 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m 74.47 -68.47 0.21 Allowed 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -29.7 69.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.128 0.49 . . . . 0.0 109.942 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.756 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -72.2 -47.68 48.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.776 179.531 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -62.37 -30.09 70.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.761 0.315 . . . . 0.0 110.572 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.72 -41.02 65.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.459 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' ASP . . . . . 0.739 ' CG ' HG22 ' C' ' 15' ' ' VAL . 35.9 m-20 -70.45 -42.68 71.16 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.756 HD12 ' O ' ' B' ' 105' ' ' SER . 5.3 mt -59.72 -49.29 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.491 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' SER . . . . . 0.55 ' HA ' HD12 ' B' ' 113' ' ' LEU . 2.3 m -55.57 -35.53 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.817 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.605 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.62 -51.34 69.07 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.84 178.779 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.867 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.4 mt -62.84 -42.52 99.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.3 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.646 ' CD1' HG22 ' B' ' 109' ' ' ILE . 4.7 mt -57.1 -41.13 78.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.815 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.75 -50.22 73.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.001 0.429 . . . . 0.0 110.428 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.537 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.3 mp -61.24 -49.75 75.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.137 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 112' ' ' LEU . 48.8 t -58.37 -27.55 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.429 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 73.7 mt-30 -98.43 -8.29 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.79 152.69 26.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.708 0.289 . . . . 0.0 110.523 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -59.33 2.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.078 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -43.05 99.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.799 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' PHE . . . . . 0.451 ' CE2' ' HB3' ' B' ' 115' ' ' LEU . 12.3 t80 -58.67 -56.01 27.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.58 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -52.26 -36.16 51.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.815 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' ASN . . . . . 0.435 ' HB3' ' CD1' ' D' ' 127' ' ' ILE . 4.1 m120 -62.11 -51.24 68.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.684 ' HB2' HE21 ' C' ' 54' ' ' GLN . . . -58.22 -47.96 81.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' PHE . . . . . 0.471 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 2.1 t80 -57.57 -41.31 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.597 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 1.2 mptp? -64.06 -37.21 86.59 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.81 0.338 . . . . 0.0 110.712 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.847 HD11 HD11 ' D' ' 127' ' ' ILE . 44.4 mt -69.11 -49.74 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.633 ' O ' ' HB ' ' B' ' 132' ' ' THR . 11.6 t-80 -68.41 -32.1 71.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.901 ' O ' HG23 ' B' ' 133' ' ' VAL . 35.9 t-20 -64.29 -60.81 2.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.79 -52.3 38.73 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' ILE . . . . . 0.552 HG21 HG21 ' A' ' 57' ' ' ILE . 56.0 mt -53.79 -36.1 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.415 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . 0.633 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.8 OUTLIER -61.33 -52.09 66.11 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 177.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' VAL . . . . . 0.901 HG23 ' O ' ' B' ' 129' ' ' ASN . 14.5 t -52.89 -51.39 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.718 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -64.08 -32.16 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.518 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 33.3 ttm -54.75 -61.91 2.0 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 -179.873 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.93 0.395 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.844 ' O ' HG23 ' C' ' 12' ' ' VAL . 49.2 mt-10 -63.05 -53.37 54.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.636 ' HE2' HD11 ' C' ' 13' ' ' LEU . 5.3 tmtt? -56.71 -41.46 77.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.607 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 6.4 tpt -61.77 -48.21 81.68 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.579 ' NE2' HG23 ' C' ' 15' ' ' VAL . 30.6 tp60 -64.78 -31.89 73.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.714 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.844 HG23 ' O ' ' C' ' 8' ' ' GLU . 54.3 t -60.71 -56.3 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.533 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.658 HD13 ' HE2' ' C' ' 43' ' ' LYS . 19.7 mt -54.37 -44.35 72.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.214 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -28.63 68.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' VAL . . . . . 0.803 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.1 t -74.0 -37.8 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.91 179.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.533 ' CD2' HD13 ' B' ' 112' ' ' LEU . 74.0 mt -64.44 -37.03 86.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.732 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.8 -41.16 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.83 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -66.03 -54.69 22.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' LEU . . . . . 0.567 HD12 HD11 ' B' ' 112' ' ' LEU . 90.4 mt -53.2 -52.54 58.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.141 0.496 . . . . 0.0 110.286 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . 0.499 ' HD3' ' HB2' ' C' ' 35' ' ' LEU . 0.1 OUTLIER -51.5 -44.24 62.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.746 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.62 -44.91 86.14 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.111 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.63 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.6 mttm -64.22 -33.48 75.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.518 0.199 . . . . 0.0 111.198 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' C' ' 31' ' ' GLN . 47.5 mt -66.66 -50.49 62.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.944 0.402 . . . . 0.0 110.499 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -26.31 67.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.004 179.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.38 -31.97 29.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.494 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . 0.715 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.7 OUTLIER -83.51 -36.49 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.431 -179.789 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.65 -19.41 6.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.943 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 97.8 m-20 -73.58 80.67 1.49 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.01 0.433 . . . . 0.0 110.113 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.23 14.94 9.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.882 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 55.3 m -87.33 -44.39 11.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.666 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.748 ' HB3' HD11 ' B' ' 96' ' ' ILE . 3.7 mm-40 -72.84 -25.04 60.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.577 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' ASN . . . . . 0.416 ' CB ' ' HD2' ' C' ' 20' ' ' ARG . 4.1 m120 -49.89 -41.44 45.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.892 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -59.7 -33.59 71.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.345 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.534 ' NZ ' HD12 ' B' ' 84' ' ' LEU . 16.9 mmmt -73.49 -41.85 62.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.344 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.577 ' N ' HD23 ' C' ' 35' ' ' LEU . 2.3 mt -66.8 -32.36 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.646 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -33.03 60.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.237 0.541 . . . . 0.0 109.896 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . 0.906 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -74.37 -47.08 36.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.217 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' PHE . . . . . 0.533 ' CE2' HD11 ' C' ' 42' ' ' LEU . 42.8 t80 -63.96 -49.73 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.176 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.466 ' CZ ' ' NZ ' ' C' ' 43' ' ' LYS . 85.2 t80 -54.13 -53.38 54.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.12 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.13 -48.31 79.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' THR . . . . . 0.5 HG23 ' CE1' ' B' ' 128' ' ' HIS . 84.8 m -56.03 -38.82 71.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.427 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' C' ' 38' ' ' PHE . 0.2 OUTLIER -60.94 -41.72 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.143 179.242 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . 0.658 ' HE2' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -69.39 -24.2 63.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.0 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . 0.434 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 0.5 OUTLIER -45.59 133.99 6.19 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.478 -179.437 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 27.2 Cg_exo -61.12 -49.13 8.58 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.446 2.098 . . . . 0.0 111.887 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.608 HD21 HD13 ' A' ' 60' ' ' LEU . 3.4 mm? -57.71 -54.7 43.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' PHE . . . . . 0.831 ' CE1' HD21 ' C' ' 51' ' ' LEU . 3.4 t80 -51.06 -51.14 56.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -55.9 -36.59 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.304 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . 0.55 ' HB3' HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -65.37 -40.41 93.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.968 -179.833 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . 0.443 HG12 HD21 ' A' ' 53' ' ' LEU . 1.3 mt -63.98 -41.07 91.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.831 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.4 OUTLIER -68.77 -37.92 79.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.379 . . . . 0.0 110.17 179.526 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 93.8 m -53.91 -50.7 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.801 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.846 HD21 HG12 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -57.9 -51.15 70.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.977 178.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.684 HE21 ' HB2' ' B' ' 124' ' ' ALA . 3.4 mm-40 -59.68 -31.35 69.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.444 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -41.2 98.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.989 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 74.9 m -63.25 -41.76 99.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.622 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.689 HG21 HG21 ' D' ' 131' ' ' ILE . 3.3 mt -61.31 -43.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.239 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -40.75 74.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.184 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.88 -41.49 97.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.284 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 60' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -55.89 -45.99 78.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 179.563 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . 0.742 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 3.3 mttt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 83' ' ' ILE . . . . . 0.572 HG21 ' CG ' ' D' ' 129' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.571 0.224 . . . . 0.0 110.79 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 84' ' ' LEU . . . . . 0.846 HD13 ' HB3' ' A' ' 37' ' ' ALA . 12.2 tp -168.13 -32.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.364 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 59.36 112.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.783 0.325 . . . . 0.0 110.683 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 86' ' ' ILE . . . . . 0.912 HG12 HG13 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -57.13 -25.42 22.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.527 -179.609 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.21 -46.82 82.22 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.187 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -35.95 55.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.152 0.501 . . . . 0.0 109.821 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 89' ' ' LEU . . . . . 0.747 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -71.99 -30.52 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.58 179.659 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 90' ' ' PHE . . . . . 0.508 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 13.6 t80 -72.48 -46.07 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -62.78 -31.61 72.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.572 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 92' ' ' SER . . . . . 0.798 ' C ' HD12 ' D' ' 96' ' ' ILE . 45.1 m -63.44 -53.02 58.81 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.578 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 93' ' ' LEU . . . . . 0.727 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -56.35 -35.83 68.1 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.446 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 94' ' ' LYS . . . . . 0.43 ' HE3' ' CZ ' ' D' ' 90' ' ' PHE . 26.9 mmtp -58.97 -45.19 91.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.715 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 95' ' ' HIS . . . . . 0.418 ' CD2' ' OE1' ' A' ' 31' ' ' GLN . 2.1 t60 -66.85 -55.5 14.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 96' ' ' ILE . . . . . 0.798 HD12 ' C ' ' D' ' 92' ' ' SER . 4.6 mt -50.9 -33.91 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.061 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 97' ' ' GLN . . . . . 0.567 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -64.41 -52.03 60.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.715 179.62 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -74.4 -21.51 59.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.392 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -82.22 -36.55 27.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.919 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 100' ' ' LEU . . . . . 0.759 HD23 ' HE2' ' A' ' 26' ' ' LYS . 25.2 mt -107.82 77.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.29 37.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.638 -1.165 . . . . 0.0 111.095 -178.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.4 21.14 3.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.866 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 103' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' D' ' 106' ' ' GLN . 0.5 OUTLIER 68.56 -68.61 0.17 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.066 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -59.59 -30.17 68.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.149 0.499 . . . . 0.0 110.02 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 105' ' ' SER . . . . . 0.822 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.4 OUTLIER -71.99 -48.56 43.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.611 179.578 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 106' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' D' ' 103' ' ' SER . 4.3 pt20 -61.49 -29.91 70.28 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 110.296 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.82 -42.14 70.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.596 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 108' ' ' ASP . . . . . 0.716 ' CG ' HG22 ' A' ' 15' ' ' VAL . 21.4 m-20 -70.38 -42.19 72.09 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 109' ' ' ILE . . . . . 0.822 HD12 ' O ' ' D' ' 105' ' ' SER . 3.8 mt -60.25 -49.26 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.36 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 110' ' ' SER . . . . . 0.601 ' HA ' HD12 ' D' ' 113' ' ' LEU . 0.9 OUTLIER -56.25 -33.92 65.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.572 179.08 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 111' ' ' LEU . . . . . 0.699 HD23 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -57.01 -51.26 69.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.707 178.697 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 112' ' ' LEU . . . . . 0.816 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.4 mt -63.32 -41.77 98.95 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.477 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 113' ' ' LEU . . . . . 0.626 ' CD1' HG22 ' D' ' 109' ' ' ILE . 4.6 mt -58.76 -40.12 83.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.641 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.46 -50.46 72.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 0.0 110.366 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 115' ' ' LEU . . . . . 0.537 ' CD2' HG21 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -62.31 -50.49 71.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.839 179.076 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 116' ' ' VAL . . . . . 0.912 HG13 HG12 ' D' ' 86' ' ' ILE . 58.4 t -58.28 -36.07 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.376 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 117' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 41.1 mt-30 -89.01 -8.73 53.5 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 118' ' ' ASN . . . . . 0.403 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.4 OUTLIER -60.6 134.53 57.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.734 0.302 . . . . 0.0 110.393 179.554 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -59.11 5.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.441 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 120' ' ' ASP . . . . . 0.428 ' HB2' ' HG2' ' A' ' 54' ' ' GLN . 1.1 p30 -62.07 -45.72 92.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.152 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 121' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.6 t80 -57.39 -49.86 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.471 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 122' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 5.9 mt-30 -52.38 -46.02 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.979 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 123' ' ' ASN . . . . . 0.49 ' O ' HG13 ' D' ' 127' ' ' ILE . 30.4 m-20 -59.76 -47.19 86.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 124' ' ' ALA . . . . . 0.834 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -56.42 -45.62 80.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.309 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 125' ' ' PHE . . . . . 0.625 ' CG ' HD12 ' D' ' 86' ' ' ILE . 22.1 t80 -59.66 -38.38 81.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 126' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 7.2 mmpt? -63.03 -40.2 97.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.368 . . . . 0.0 110.337 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 127' ' ' ILE . . . . . 0.847 HD11 HD11 ' B' ' 127' ' ' ILE . 4.6 mt -62.67 -49.8 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 128' ' ' HIS . . . . . 0.749 ' O ' ' HB ' ' D' ' 132' ' ' THR . 21.8 t-80 -64.14 -38.54 91.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.768 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 129' ' ' ASN . . . . . 0.934 ' O ' HG23 ' D' ' 133' ' ' VAL . 43.9 t-20 -55.74 -60.87 2.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.62 -52.39 31.9 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 131' ' ' ILE . . . . . 0.832 HD12 HG22 ' D' ' 127' ' ' ILE . 57.9 mt -53.82 -37.13 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.78 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 132' ' ' THR . . . . . 0.749 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.77 -52.27 63.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.368 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 133' ' ' VAL . . . . . 0.934 HG23 ' O ' ' D' ' 129' ' ' ASN . 33.9 t -52.97 -43.93 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.861 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -63.43 -32.14 73.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.224 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.58 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 t30 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.561 0.219 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.65 -58.02 1.0 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.459 2.106 . . . . 0.0 112.176 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.45 -28.21 58.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.367 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -45.0 95.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.656 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.1 mt-10 -68.07 -51.98 40.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.9 ttpp -59.66 -42.43 92.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.592 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.3 tpt -61.08 -42.7 98.99 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.514 ' NE2' HG23 ' A' ' 15' ' ' VAL . 30.9 tp60 -68.45 -34.61 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.452 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.702 HG22 HD23 ' D' ' 111' ' ' LEU . 35.4 t -60.15 -56.1 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.668 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.916 ' HA ' HD12 ' A' ' 16' ' ' LEU . 15.9 mt -56.35 -42.2 77.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.991 0.424 . . . . 0.0 110.083 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -28.39 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.685 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.806 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.1 t -73.58 -38.15 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.975 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 13' ' ' LEU . 7.6 mt -63.81 -42.63 97.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.743 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.75 -39.68 84.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.396 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -54.22 28.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.767 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.703 HD12 HD11 ' D' ' 112' ' ' LEU . 50.2 mt -53.37 -57.18 11.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.438 . . . . 0.0 110.597 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.695 ' CB ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -52.55 -35.53 53.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.94 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -45.47 96.5 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.944 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -62.47 -41.73 98.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.311 . . . . 0.0 110.84 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.797 HD21 HG23 ' D' ' 96' ' ' ILE . 23.8 mt -58.75 -50.59 73.37 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.038 0.447 . . . . 0.0 110.737 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.525 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -60.78 -28.4 68.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.117 179.311 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.42 -31.37 29.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.784 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.82 -30.94 26.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.261 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.26 22.48 3.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.627 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 46.2 m-20 -114.76 77.69 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.021 0.438 . . . . 0.0 110.31 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.525 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -93.25 36.17 1.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.814 179.553 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.7 m -105.25 -51.21 3.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.158 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.587 ' HB3' HD11 ' D' ' 96' ' ' ILE . 1.2 mp0 -69.99 -17.13 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.162 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.8 -42.95 27.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.468 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 2.1 pt-20 -56.82 -32.6 65.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.905 0.383 . . . . 0.0 110.658 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.691 ' HA ' HD21 ' D' ' 84' ' ' LEU . 38.7 mmtm -74.36 -41.47 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.453 . . . . 0.0 110.307 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.695 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.1 mt -70.63 -29.9 66.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.331 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.44 -35.84 53.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.124 0.487 . . . . 0.0 110.382 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.996 ' HB3' HD23 ' D' ' 84' ' ' LEU . . . -80.3 -42.74 22.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.977 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.474 ' CD2' HD21 ' A' ' 16' ' ' LEU . 36.8 t80 -63.09 -50.52 70.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.377 0.608 . . . . 0.0 109.792 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.655 ' CA ' HD13 ' A' ' 16' ' ' LEU . 7.7 t80 -59.51 -53.75 54.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.074 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' HA ' ' HG3' ' A' ' 43' ' ' LYS . 21.8 mm-40 -59.14 -52.23 66.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.99 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.62 HG22 ' CD2' ' A' ' 47' ' ' PHE . 95.0 m -56.01 -34.85 66.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.835 0.35 . . . . 0.0 110.342 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.662 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -63.4 -35.97 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.21 0.529 . . . . 0.0 109.994 178.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 39' ' ' TYR . 1.4 mtmt -72.39 -31.06 65.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.1 t -47.52 126.24 10.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.393 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.58 -29.95 78.74 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.417 2.078 . . . . 0.0 111.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.73 HD11 HD13 ' C' ' 57' ' ' ILE . 0.5 OUTLIER -70.02 -55.15 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.324 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.62 ' CD2' HG22 ' A' ' 41' ' ' THR . 9.7 t80 -58.5 -34.98 71.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.15 0.5 . . . . 0.0 110.006 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -50.69 68.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.167 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.644 ' HG3' HD11 ' C' ' 53' ' ' LEU . 8.0 pt20 -57.26 -33.81 67.98 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.502 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.59 HG12 HD21 ' C' ' 53' ' ' LEU . 1.4 mt -62.2 -52.23 62.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.781 0.324 . . . . 0.0 110.304 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.597 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -62.87 -32.98 74.34 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.222 179.389 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.8 m -53.99 -54.48 38.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.269 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.659 HD21 HG12 ' C' ' 50' ' ' ILE . 0.3 OUTLIER -59.24 -46.03 89.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.222 179.112 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.572 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.1 OUTLIER -58.75 -34.45 71.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.216 179.439 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.43 -38.01 88.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.202 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.9 t -61.1 -45.8 93.23 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.088 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.825 HG12 HD13 ' C' ' 46' ' ' LEU . 29.8 mt -59.49 -40.19 81.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.108 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' HA ' ' CG ' ' A' ' 61' ' ' LYS . 5.2 mmtt -61.32 -33.89 74.35 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.903 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -64.09 -39.25 93.65 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -59.44 -61.5 2.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.116 178.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.452 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 0.0 OUTLIER -56.04 -24.24 38.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.215 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.29 -31.58 13.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.859 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -87.9 -52.74 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 111.031 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.5 mt -50.67 140.06 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.8 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.718 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 121.004 0.43 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.718 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -179.08 -66.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.022 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.21 118.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.945 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.618 HD11 HG22 ' B' ' 133' ' ' VAL . 0.2 OUTLIER -90.2 -159.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.619 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.8 ' CD2' HD22 ' B' ' 89' ' ' LEU . 12.1 tp -154.99 -37.34 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.74 107.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.962 HG12 HG13 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -53.11 -25.66 10.1 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.728 -179.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.88 -49.66 73.97 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.347 -0.541 . . . . 0.0 109.914 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.0 -34.14 61.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.592 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.8 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.25 -28.97 64.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.465 179.439 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.1 t80 -71.83 -49.75 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 9.4 p -63.08 -26.92 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.521 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 12.1 t -65.24 -52.65 53.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.575 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.744 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -58.33 -38.96 78.19 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.981 0.419 . . . . 0.0 110.155 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -59.5 -40.21 86.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.795 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.412 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.4 t60 -69.49 -52.65 24.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' B' ' 93' ' ' LEU . 12.6 mt -50.8 -42.03 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.97 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.76 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -60.35 -50.94 71.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -80.35 -4.78 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.4 m -97.38 -32.18 12.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.405 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 1.055 HD12 HD11 ' B' ' 109' ' ' ILE . 63.5 mt -91.07 -53.73 4.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.14 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.0 38.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.695 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' B' ' 104' ' ' GLN . 9.2 m-20 -99.65 22.29 11.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.733 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.69 -72.52 0.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.693 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -59.14 -30.17 67.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.127 0.489 . . . . 0.0 109.855 179.285 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.861 ' O ' HD12 ' B' ' 109' ' ' ILE . 1.9 m -70.08 -42.48 72.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.551 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -34.69 76.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.959 0.409 . . . . 0.0 110.426 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.0 -41.44 74.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.701 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.77 ' HB3' HG13 ' C' ' 15' ' ' VAL . 25.9 m-20 -70.53 -43.23 70.0 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 1.055 HD11 HD12 ' B' ' 100' ' ' LEU . 4.5 mt -59.74 -49.04 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.392 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.605 ' HA ' HD12 ' B' ' 113' ' ' LEU . 8.3 t -55.78 -36.31 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.966 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.795 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.4 -51.5 68.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.958 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.815 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.1 mt -62.67 -41.86 99.31 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.633 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.7 mt -57.4 -40.69 78.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.607 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.88 -52.29 64.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.543 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.644 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.1 mp -60.07 -49.66 76.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.225 0.535 . . . . 0.0 110.077 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.962 HG13 HG12 ' B' ' 86' ' ' ILE . 96.0 t -55.11 -37.76 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.891 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 57.2 mt-30 -87.59 -11.9 47.24 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.11 127.68 33.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.722 0.296 . . . . 0.0 110.488 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . 0.643 ' CE ' ' HB1' ' D' ' 130' ' ' ALA . 0.0 OUTLIER -51.92 -58.71 5.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.563 -179.507 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . 0.401 ' HB3' ' HG2' ' C' ' 54' ' ' GLN . 1.7 m-20 -59.59 -48.85 80.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 111.0 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.8 t80 -55.69 -54.57 42.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.615 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -51.75 -36.08 45.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.77 -49.73 75.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.851 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -56.99 -49.28 76.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.188 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.665 ' CD1' HD12 ' B' ' 86' ' ' ILE . 10.0 t80 -63.91 -39.04 93.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.272 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -39.38 90.43 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.827 0.346 . . . . 0.0 110.401 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 1.105 HD11 HD11 ' D' ' 127' ' ' ILE . 6.5 mt -62.83 -49.64 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.563 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.653 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.2 t-80 -60.9 -44.54 96.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.189 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.662 ' O ' HG23 ' B' ' 133' ' ' VAL . 21.8 t-20 -55.33 -60.98 2.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.02 69.54 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.737 HD12 HG22 ' B' ' 127' ' ' ILE . 55.1 mt -56.7 -43.06 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.398 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.653 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -57.67 -45.35 85.7 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.409 0.623 . . . . 0.0 109.57 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 129' ' ' ASN . 90.6 t -54.88 -46.95 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.384 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -63.73 -31.63 72.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.202 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . 0.451 ' HE3' ' HA ' ' B' ' 132' ' ' THR . 27.0 ttm -57.75 -55.02 40.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.737 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -74.83 -31.95 61.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.63 -75.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.946 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -74.36 117.85 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.907 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 t30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.767 0.317 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.48 -39.49 6.97 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.79 2.327 . . . . 0.0 111.941 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.68 -28.83 3.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.345 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.22 84.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.998 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.841 ' O ' HG23 ' C' ' 12' ' ' VAL . 7.9 mt-10 -67.24 -54.62 19.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.744 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 9.4 ttpt -55.97 -42.65 76.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -46.46 90.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.752 ' O ' HG23 ' C' ' 15' ' ' VAL . 26.4 tp60 -64.78 -34.34 78.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.841 HG23 ' O ' ' C' ' 8' ' ' GLU . 76.7 t -61.48 -50.03 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.846 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.865 ' HA ' HD12 ' C' ' 16' ' ' LEU . 13.8 mt -58.2 -44.93 88.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.402 . . . . 0.0 110.057 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -28.5 68.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.474 178.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.77 HG13 ' HB3' ' B' ' 108' ' ' ASP . 7.1 t -72.26 -37.98 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.823 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.865 HD12 ' HA ' ' C' ' 13' ' ' LEU . 10.5 mt -64.31 -40.92 96.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.838 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -71.07 -37.62 72.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.826 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -67.44 -54.53 19.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.667 HD12 HD11 ' B' ' 112' ' ' LEU . 96.0 mt -54.59 -53.25 57.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.617 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.758 ' N ' HD12 ' C' ' 35' ' ' LEU . 0.2 OUTLIER -55.02 -37.16 66.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.75 -44.4 97.01 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.906 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.502 ' HB3' HD22 ' B' ' 100' ' ' LEU . 6.4 mttm -63.64 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.626 0.25 . . . . 0.0 110.873 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.506 HD21 HG23 ' B' ' 96' ' ' ILE . 34.7 mt -61.64 -50.58 71.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.949 0.404 . . . . 0.0 110.552 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -27.06 68.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.072 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.69 -32.48 28.06 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.54 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.02 -32.73 39.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.232 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.59 18.91 3.9 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.595 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -113.63 85.86 2.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.959 0.409 . . . . 0.0 110.201 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.714 HG22 ' ND2' ' C' ' 32' ' ' ASN . 0.3 OUTLIER -95.06 27.55 3.15 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.921 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 3.6 m -101.32 -54.99 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.465 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.412 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 2.9 mp0 -70.5 -22.31 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.607 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . 0.714 ' ND2' HG22 ' C' ' 29' ' ' THR . 35.1 p-10 -51.69 -42.6 62.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.652 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.91 -32.63 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.946 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.401 ' HA ' ' CD1' ' B' ' 84' ' ' LEU . 1.3 mmmm -69.35 -43.12 74.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.22 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.758 HD12 ' N ' ' C' ' 20' ' ' ARG . 1.0 OUTLIER -64.55 -32.53 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.519 179.616 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -39.39 49.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.941 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.652 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -69.08 -38.87 79.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.312 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.487 ' CA ' HD22 ' B' ' 84' ' ' LEU . 2.8 t80 -74.8 -35.18 62.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.246 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.749 ' HA ' HD13 ' C' ' 16' ' ' LEU . 2.5 t80 -68.94 -51.36 40.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.846 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -52.08 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.436 HG22 ' CE2' ' C' ' 47' ' ' PHE . 94.3 m -55.9 -39.06 71.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.876 0.37 . . . . 0.0 110.431 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.58 ' HB3' HD21 ' C' ' 13' ' ' LEU . 0.3 OUTLIER -62.44 -34.93 77.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.164 179.305 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.459 ' CD ' ' CE1' ' C' ' 39' ' ' TYR . 23.9 mtpt -80.08 -28.31 39.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.888 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.14 136.41 1.67 Allowed Pre-proline 0 N--CA 1.465 0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.471 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.67 -61.33 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.602 2.202 . . . . 0.0 112.67 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.825 HD13 HG12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.46 -34.24 68.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.694 ' CE1' HD21 ' C' ' 51' ' ' LEU . 28.5 t80 -62.56 -46.66 87.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.092 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -56.54 -37.5 70.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.885 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.412 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 12.6 mt-30 -61.82 -41.0 97.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.171 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.659 HG12 HD21 ' A' ' 53' ' ' LEU . 2.1 mt -60.51 -42.66 92.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.508 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.694 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.6 OUTLIER -66.45 -42.81 87.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.371 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 13.0 m -55.73 -39.66 71.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.202 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.644 HD11 ' HG3' ' A' ' 49' ' ' GLN . 0.5 OUTLIER -62.82 -50.98 68.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.03 179.049 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.749 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -60.0 -34.56 73.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.113 179.243 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.86 -40.57 93.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.219 0.533 . . . . 0.0 109.921 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 11.9 t -61.4 -42.04 98.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.405 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.905 HG21 HG21 ' D' ' 131' ' ' ILE . 3.1 mt -61.45 -36.13 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.059 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -40.94 94.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.726 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.12 -37.32 87.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.181 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.3 mt -57.31 -48.14 79.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.703 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.4 ' HG3' ' HG3' ' D' ' 135' ' ' MET . 2.1 mtpt -68.11 -30.43 69.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.01 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.01 -24.81 47.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.787 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -91.95 -39.46 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.705 0.288 . . . . 0.0 110.948 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -58.74 130.8 48.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.983 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . 0.731 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.719 0.295 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . 0.731 HG13 ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER -170.23 33.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.093 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' D' ' 82' ' ' LYS . 0.0 OUTLIER -99.77 26.48 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.408 0.623 . . . . 0.0 110.651 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.954 HD11 HG22 ' D' ' 133' ' ' VAL . 0.4 OUTLIER 44.68 -162.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.055 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 0.996 HD23 ' HB3' ' A' ' 37' ' ' ALA . 2.7 tm? -153.59 -40.98 0.09 Allowed 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.54 104.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.664 0.269 . . . . 0.0 110.711 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 1.102 ' HA ' HD23 ' D' ' 89' ' ' LEU . 1.2 mp -64.44 -31.15 52.37 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -41.19 98.43 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.977 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.68 -38.64 47.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.11 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 1.102 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.0 OUTLIER -72.13 -28.54 63.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.819 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.487 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.1 t80 -72.5 -47.74 46.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 85.3 p -63.79 -29.13 70.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.559 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . 0.6 ' C ' HD12 ' D' ' 96' ' ' ILE . 8.1 m -64.38 -53.43 48.64 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.795 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.742 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.8 OUTLIER -57.89 -35.18 70.66 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.4 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -59.17 -41.32 88.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.483 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -69.06 -55.95 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.797 HG23 HD21 ' A' ' 23' ' ' LEU . 5.2 mt -51.41 -33.83 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.089 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.587 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.7 OUTLIER -64.13 -49.55 71.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.977 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -77.46 -22.24 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.053 0.454 . . . . 0.0 110.422 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.14 -33.52 26.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.071 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.702 HD12 HD11 ' D' ' 109' ' ' ILE . 86.1 mt -101.06 86.79 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.27 36.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.23 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -92.35 12.37 22.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.893 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 4.7 m 69.28 -67.6 0.21 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.855 0.359 . . . . 0.0 111.17 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -36.92 70.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.043 0.449 . . . . 0.0 110.461 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.824 ' O ' HD12 ' D' ' 109' ' ' ILE . 13.2 p -66.07 -38.23 87.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.587 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -61.79 -38.37 87.84 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.012 0.434 . . . . 0.0 110.192 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.61 -41.29 88.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.817 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.749 ' CG ' HG22 ' A' ' 15' ' ' VAL . 51.9 m-20 -70.03 -42.48 72.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.665 0.745 . . . . 0.0 109.142 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.824 HD12 ' O ' ' D' ' 105' ' ' SER . 3.8 mt -58.91 -49.5 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.461 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.612 ' HA ' HD12 ' D' ' 113' ' ' LEU . 0.7 OUTLIER -56.96 -34.28 67.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.905 179.342 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.702 HD23 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -56.86 -51.41 69.16 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.001 179.091 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.826 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.2 mt -64.34 -41.12 96.93 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' D' ' 110' ' ' SER . 6.0 mt -56.97 -42.27 79.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.669 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -63.68 -50.37 69.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.62 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.613 HD21 HG21 ' A' ' 12' ' ' VAL . 3.1 mp -59.59 -47.88 83.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.434 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.826 HG23 ' O ' ' D' ' 112' ' ' LEU . 60.2 t -59.35 -39.92 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.713 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 57.6 mt-30 -83.52 -11.45 57.41 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . 0.406 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.9 OUTLIER -58.89 127.9 34.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.783 0.325 . . . . 0.0 110.566 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -58.42 6.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.441 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -49.99 75.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.998 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.3 t80 -55.84 -50.37 70.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.768 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -38.68 64.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.087 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.55 ' O ' HG13 ' D' ' 127' ' ' ILE . 34.6 m-20 -64.39 -52.24 59.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 111.136 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.572 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -57.07 -48.99 77.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.223 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.58 ' CG ' HD11 ' D' ' 86' ' ' ILE . 1.7 t80 -55.33 -40.29 71.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -62.16 -36.3 81.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.162 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 1.105 HD11 HD11 ' B' ' 127' ' ' ILE . 9.7 mt -60.92 -49.57 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.578 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.599 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.7 t-80 -65.75 -29.02 69.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.095 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.816 ' O ' HG23 ' D' ' 133' ' ' VAL . 33.9 m-20 -65.6 -61.27 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . 0.643 ' HB1' ' CE ' ' B' ' 119' ' ' LYS . . . -65.89 -52.17 52.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.478 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.905 HG21 HG21 ' C' ' 57' ' ' ILE . 48.8 mt -53.74 -35.8 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 110.449 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.599 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -61.73 -48.74 79.34 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.607 0.718 . . . . 0.0 109.328 178.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.954 HG22 HD11 ' D' ' 83' ' ' ILE . 15.5 t -53.12 -51.16 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.966 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.49 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.068 0.461 . . . . 0.0 110.104 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . 0.4 ' HG3' ' HG3' ' C' ' 61' ' ' LYS . 20.6 ttm -61.05 -59.2 5.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.948 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -59.53 -37.9 79.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.99 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -58.06 -64.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 57.97 -168.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.821 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.509 0.195 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.46 -25.65 63.04 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.363 2.042 . . . . 0.0 112.4 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.97 -31.17 68.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.047 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.79 77.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.966 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.748 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.2 mm-40 -63.08 -55.37 26.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 12.3 ttpp -58.52 -44.82 89.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.626 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -43.0 99.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.897 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.4 tp60 -69.79 -30.71 68.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.75 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 8' ' ' GLU . 32.9 t -63.46 -56.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.502 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.817 ' HA ' HD12 ' A' ' 16' ' ' LEU . 17.1 mt -57.17 -42.74 81.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.156 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -28.18 67.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.561 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.814 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.4 t -74.44 -40.51 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.943 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 13' ' ' LEU . 8.8 mt -62.38 -38.9 91.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.822 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -71.59 -40.29 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -54.7 24.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.707 HD12 HD11 ' D' ' 112' ' ' LEU . 94.2 mt -55.18 -54.93 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.139 0.495 . . . . 0.0 110.319 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.804 ' HA ' HD12 ' A' ' 23' ' ' LEU . 3.5 tmm_? -51.12 -37.26 44.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.145 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.94 -47.56 87.78 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.085 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.665 ' HB3' HD22 ' D' ' 100' ' ' LEU . 1.5 mttm -59.46 -31.87 69.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.849 0.357 . . . . 0.0 110.555 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 20' ' ' ARG . 33.5 mt -66.57 -50.52 62.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.577 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -27.03 64.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.948 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -82.35 -30.48 30.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.343 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.811 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.6 OUTLIER -81.1 -39.62 25.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.475 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.67 -16.34 6.21 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.091 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 8.4 m-20 -97.91 74.14 2.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.9 t -90.23 12.16 18.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.5 m -70.52 -33.68 71.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.5 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.779 ' HB3' HD11 ' D' ' 96' ' ' ILE . 14.7 mm-40 -75.69 -11.53 60.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.494 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.443 ' HB3' ' HD3' ' A' ' 20' ' ' ARG . 7.4 m-20 -57.91 -39.46 78.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.431 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -56.91 -35.77 69.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.866 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.719 ' HG3' HD12 ' D' ' 84' ' ' LEU . 0.0 OUTLIER -66.23 -55.81 14.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.758 0.79 . . . . 0.0 109.707 179.041 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.699 HD12 ' HB2' ' A' ' 20' ' ' ARG . 1.9 mt -58.59 -29.97 66.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.288 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.5 p -76.95 -34.18 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.05 0.452 . . . . 0.0 110.397 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' D' ' 84' ' ' LEU . . . -76.12 -42.49 46.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.951 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CE1' HD11 ' A' ' 42' ' ' LEU . 3.0 t80 -71.53 -45.92 61.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.103 0.478 . . . . 0.0 110.402 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.638 ' HA ' HD13 ' A' ' 16' ' ' LEU . 37.9 t80 -58.29 -53.9 53.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.086 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.51 -48.76 76.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.602 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.435 HG22 ' CD2' ' A' ' 47' ' ' PHE . 54.5 m -52.95 -34.54 56.14 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.709 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -69.35 -32.2 71.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.66 178.532 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.669 ' CE ' HD13 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -67.41 -31.38 71.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.692 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -49.57 133.16 19.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.475 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.81 -37.55 5.02 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.472 2.115 . . . . 0.0 111.982 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.775 HD11 ' CG1' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -66.68 -49.58 65.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.993 179.486 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' A' ' 41' ' ' THR . 27.3 t80 -59.45 -44.05 93.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.258 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -56.78 -38.99 73.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.231 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -60.77 -42.96 98.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.054 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.703 HG12 HD21 ' C' ' 53' ' ' LEU . 3.2 mt -57.93 -51.99 63.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.569 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.601 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -57.38 -40.23 77.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.368 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.9 m -53.45 -46.61 69.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.829 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.69 HD11 HG12 ' C' ' 50' ' ' ILE . 0.8 OUTLIER -59.84 -38.81 83.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.539 178.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.582 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.5 OUTLIER -61.86 -37.28 83.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.946 178.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -62.3 -40.07 95.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.228 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 t -60.54 -50.09 74.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.211 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.869 HG21 HG21 ' B' ' 131' ' ' ILE . 64.6 mt -59.77 -35.98 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.27 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -58.3 -44.41 88.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.273 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -39.55 95.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.246 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.578 ' O ' HD12 ' A' ' 64' ' ' LEU . 3.0 mt -56.93 -41.34 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.767 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -64.92 -52.66 55.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.68 -33.0 70.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -82.59 -31.51 28.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.816 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.672 HD13 ' SD ' ' B' ' 135' ' ' MET . 3.3 mt -85.39 60.79 6.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.734 0.302 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.426 ' O ' HD13 ' B' ' 83' ' ' ILE . 3.7 m 41.2 85.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.921 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -58.34 137.33 57.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.595 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.841 HG22 ' ND2' ' B' ' 129' ' ' ASN . 0.6 OUTLIER -88.01 -36.99 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.042 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.827 HD21 HD22 ' B' ' 89' ' ' LEU . 9.2 tp 70.21 -52.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.947 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.01 115.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.923 HG12 HG13 ' B' ' 116' ' ' VAL . 1.3 mt -54.21 -24.63 11.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.705 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.02 -44.47 84.62 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.954 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.43 -34.22 36.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.658 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.827 HD22 HD21 ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.28 -31.76 66.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.235 179.277 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 19.2 t80 -72.28 -50.03 30.21 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.973 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -29.94 70.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.423 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . 0.442 ' C ' HD12 ' B' ' 96' ' ' ILE . 45.4 m -63.58 -51.65 64.42 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.335 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.772 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -56.63 -37.18 70.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.558 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -59.46 -41.11 88.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.573 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.412 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.9 t60 -68.86 -53.47 21.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.659 HG23 HD21 ' C' ' 23' ' ' LEU . 7.7 mt -52.04 -38.37 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.874 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.902 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -64.08 -49.41 72.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.742 179.637 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -82.66 -1.04 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.43 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . 0.401 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -101.53 -33.69 9.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.493 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.782 HD12 HD11 ' B' ' 109' ' ' ILE . 45.7 mt -91.22 -55.46 3.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.245 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.94 36.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.719 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.1 27.04 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.543 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.99 -73.58 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.693 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . 0.509 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -60.08 -27.39 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.251 0.548 . . . . 0.0 109.658 179.05 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.783 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -73.16 -47.42 43.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.408 179.092 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -66.69 -31.05 71.47 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.971 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' B' ' 104' ' ' GLN . 5.5 pt-20 -74.04 -39.34 63.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.133 0.492 . . . . 0.0 109.98 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.755 ' CG ' HG22 ' C' ' 15' ' ' VAL . 19.5 m-20 -70.91 -43.26 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.902 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.7 mt -59.29 -49.3 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.537 178.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.687 ' HA ' HD12 ' B' ' 113' ' ' LEU . 0.5 OUTLIER -54.54 -39.0 67.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.121 179.617 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.525 HD23 HG22 ' C' ' 12' ' ' VAL . 0.5 OUTLIER -56.72 -51.11 70.08 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.278 179.017 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.886 HD21 HG11 ' C' ' 15' ' ' VAL . 1.0 OUTLIER -60.37 -39.62 87.89 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.646 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' B' ' 110' ' ' SER . 4.6 mt -60.74 -41.37 95.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.999 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.85 -53.07 60.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.804 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.57 HD22 HG21 ' C' ' 12' ' ' VAL . 0.9 OUTLIER -64.9 -35.2 80.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.559 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.923 HG13 HG12 ' B' ' 86' ' ' ILE . 49.3 t -69.09 -40.64 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.292 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 51.7 mt-30 -81.45 -13.02 58.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.91 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -53.01 123.05 10.59 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.639 0.257 . . . . 0.0 110.401 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -49.14 -59.43 3.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.61 -50.28 74.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.774 0.321 . . . . 0.0 111.005 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 6.1 t80 -56.25 -52.29 64.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.619 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -49.83 -38.06 33.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.457 ' O ' HG13 ' B' ' 127' ' ' ILE . 3.8 m-20 -65.89 -48.69 70.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.655 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.764 ' HB2' ' NE2' ' C' ' 54' ' ' GLN . . . -56.96 -49.63 75.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.28 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.662 ' CD1' HD12 ' B' ' 86' ' ' ILE . 26.2 t80 -59.76 -34.86 73.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.566 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -31.86 72.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.374 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.656 HD11 ' CD1' ' D' ' 127' ' ' ILE . 7.8 mt -67.01 -49.68 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.374 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.699 ' O ' ' HB ' ' B' ' 132' ' ' THR . 23.7 t-80 -69.92 -37.61 75.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.599 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.903 ' O ' HG23 ' B' ' 133' ' ' VAL . 15.0 t-20 -55.46 -60.65 3.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.724 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.71 -49.04 72.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.663 0.268 . . . . 0.0 111.541 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.869 HG21 HG21 ' A' ' 57' ' ' ILE . 79.3 mt -56.74 -41.63 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.151 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.77 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.4 OUTLIER -61.28 -43.78 98.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.164 0.507 . . . . 0.0 109.704 179.031 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.903 HG23 ' O ' ' B' ' 129' ' ' ASN . 46.7 t -52.94 -51.01 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.754 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' B' ' 139' ' ' SER . 0.3 OUTLIER -63.3 -30.78 71.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.495 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . 0.672 ' SD ' HD13 ' A' ' 64' ' ' LEU . 11.1 ttm -57.46 -61.93 2.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -70.19 -47.37 61.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.32 -30.03 69.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 60.71 -177.51 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . 0.428 ' HB3' ' CE1' ' B' ' 134' ' ' HIS . 19.4 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 CA--C 1.528 0.117 0 CA-C-O 120.552 0.215 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.25 -27.37 56.06 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.435 2.09 . . . . 0.0 112.364 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.41 -31.16 72.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.009 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.12 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.519 ' O ' HG23 ' C' ' 12' ' ' VAL . 5.3 mm-40 -60.79 -36.14 78.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.426 ' O ' ' HB ' ' C' ' 12' ' ' VAL . 3.0 tptm -64.78 -48.99 72.46 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 6.4 mmt -61.81 -36.02 79.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.637 ' NE2' HG21 ' C' ' 15' ' ' VAL . 7.6 tm0? -70.92 -34.65 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.566 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.57 HG21 HD22 ' B' ' 115' ' ' LEU . 2.5 t -58.93 -51.28 74.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.426 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.916 ' HA ' HD12 ' C' ' 16' ' ' LEU . 16.0 mt -60.74 -45.07 95.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.959 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -28.56 69.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.662 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.886 HG11 HD21 ' B' ' 112' ' ' LEU . 2.5 t -73.69 -36.73 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.902 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' C' ' 13' ' ' LEU . 11.6 mt -64.17 -40.57 96.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.51 -40.39 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -54.07 31.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.948 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.751 HD12 HD11 ' B' ' 112' ' ' LEU . 75.2 mt -54.98 -57.63 10.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.79 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.77 ' HB3' HD12 ' C' ' 35' ' ' LEU . 1.1 ppt_? -55.09 -30.52 59.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.74 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.93 -46.85 88.13 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.812 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.709 ' HB3' HD22 ' B' ' 100' ' ' LEU . 2.2 mttp -61.49 -37.44 83.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 110.564 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.659 HD21 HG23 ' B' ' 96' ' ' ILE . 26.7 mt -62.93 -50.19 71.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.982 0.42 . . . . 0.0 110.366 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.543 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -58.99 -27.97 65.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.063 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.32 -32.51 29.38 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.592 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -81.27 -31.06 33.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.176 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.23 21.52 3.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.632 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.44 81.93 1.7 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.874 0.368 . . . . 0.0 110.179 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.543 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -92.4 15.67 13.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.248 179.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 20.1 m -88.78 -43.31 11.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.396 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.455 ' HB2' HD13 ' C' ' 23' ' ' LEU . 3.1 mp0 -76.33 -26.67 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.789 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -51.45 -42.38 61.53 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.726 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.94 -32.64 66.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.133 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -72.57 -44.15 62.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.176 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.2 mt -64.37 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.48 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 m -77.16 -33.84 56.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.206 0.527 . . . . 0.0 109.965 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.722 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.24 -44.65 62.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.544 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.697 ' CE2' HD11 ' C' ' 42' ' ' LEU . 24.5 t80 -70.35 -44.32 68.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.36 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.655 ' HA ' HD13 ' C' ' 16' ' ' LEU . 22.7 t80 -58.86 -53.67 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.029 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.443 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 6.3 mm-40 -58.94 -48.11 82.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.665 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.83 HG22 ' CD2' ' C' ' 47' ' ' PHE . 60.2 m -57.85 -40.64 80.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.505 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.697 HD11 ' CE2' ' C' ' 38' ' ' PHE . 1.7 mt -61.42 -32.79 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.213 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.477 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -72.41 -32.77 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.739 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -46.82 122.35 7.22 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.209 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.35 -37.65 59.36 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.513 2.142 . . . . 0.0 112.134 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.744 HD11 ' CG1' ' A' ' 57' ' ' ILE . 1.5 tp -64.76 -55.02 22.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.191 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.83 ' CD2' HG22 ' C' ' 41' ' ' THR . 11.4 t80 -58.03 -42.15 84.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.323 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.92 -38.68 70.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.166 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.445 ' HB3' HD12 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -63.95 -40.55 96.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.092 179.219 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.69 HG12 HD11 ' A' ' 53' ' ' LEU . 3.9 mt -59.32 -47.75 89.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.764 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.821 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.5 OUTLIER -67.87 -42.8 80.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.385 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 68.4 m -55.18 -39.7 69.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.996 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.703 HD21 HG12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -63.14 -49.33 74.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.999 179.073 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.764 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.1 OUTLIER -58.97 -35.5 73.27 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.125 179.18 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -62.99 -37.97 89.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.045 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -52.72 63.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.071 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.775 ' CG1' HD11 ' A' ' 46' ' ' LEU . 56.5 mt -60.05 -41.62 86.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.178 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -35.39 71.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.94 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -66.25 -40.39 90.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.036 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -56.9 -45.1 82.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.44 179.36 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -63.01 -42.25 99.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.97 -24.72 63.61 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.761 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -82.47 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.748 0.309 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.552 HD11 HD23 ' C' ' 60' ' ' LEU . 4.8 mp -58.46 115.59 3.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 62.1 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . 0.714 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.927 0.394 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . 0.714 HG13 ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER 177.89 39.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.75 -179.593 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.6 101.97 14.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.156 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.718 HD11 HG22 ' D' ' 133' ' ' VAL . 1.1 pt -107.71 178.81 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.581 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 0.719 HD12 ' HG3' ' A' ' 34' ' ' LYS . 2.4 pt? -157.92 -0.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.0 OUTLIER 58.75 143.15 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.897 0.38 . . . . 0.0 110.899 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.862 HG23 ' CG1' ' D' ' 116' ' ' VAL . 0.8 OUTLIER -70.3 -36.75 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.365 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -38.38 88.55 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.649 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -43.92 32.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.782 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.726 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -72.81 -28.26 62.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.827 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 25.6 t80 -70.37 -43.86 69.27 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 6.6 t -62.69 -34.88 78.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . 0.825 ' C ' HD12 ' D' ' 96' ' ' ILE . 0.6 OUTLIER -62.89 -53.08 59.62 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.66 179.215 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.741 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -53.77 -36.19 62.12 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -59.43 -45.22 92.16 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -66.37 -56.15 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.825 HD12 ' C ' ' D' ' 92' ' ' SER . 4.2 mt -50.9 -34.51 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.192 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.789 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.3 OUTLIER -66.89 -48.51 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 179.774 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -76.66 -19.21 58.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.45 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -84.81 -37.56 20.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.949 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.829 HD12 HD11 ' D' ' 109' ' ' ILE . 44.4 mt -100.1 84.29 2.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.04 36.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.24 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -91.1 16.41 9.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.887 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.28 -68.34 0.19 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.211 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -57.45 -33.72 68.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.123 0.487 . . . . 0.0 110.415 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.831 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.2 OUTLIER -68.08 -41.39 81.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.596 179.591 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -34.1 74.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.059 0.457 . . . . 0.0 110.139 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -42.26 76.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.805 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.774 ' HB3' HG13 ' A' ' 15' ' ' VAL . 58.1 m-20 -70.23 -41.81 73.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.613 0.72 . . . . 0.0 109.086 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.831 HD12 ' O ' ' D' ' 105' ' ' SER . 4.3 mt -60.69 -49.33 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.502 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.622 ' HA ' HD12 ' D' ' 113' ' ' LEU . 56.6 m -56.84 -33.54 66.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.107 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.433 ' HA ' ' HG2' ' D' ' 114' ' ' GLN . 0.4 OUTLIER -59.71 -51.44 69.78 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.969 179.228 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.825 ' O ' HG23 ' D' ' 116' ' ' VAL . 4.0 mt -60.16 -43.92 95.42 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' D' ' 110' ' ' SER . 4.0 mt -57.25 -46.45 83.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.347 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . 0.575 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -60.95 -38.6 86.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.841 -179.811 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.582 HD21 HG21 ' A' ' 12' ' ' VAL . 6.1 mp -67.11 -44.23 80.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.862 ' CG1' HG23 ' D' ' 86' ' ' ILE . 71.1 t -58.87 -53.22 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.319 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -64.39 -25.1 67.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.224 -179.643 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . 0.402 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.4 OUTLIER -52.8 125.51 17.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 110.699 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -58.16 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.579 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 3.6 m-20 -56.13 -50.33 71.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.149 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.1 t80 -56.44 -56.21 23.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.486 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . 0.491 ' HG2' HD13 ' D' ' 86' ' ' ILE . 4.3 tt0 -50.97 -33.73 25.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.618 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.455 ' HB3' ' CD1' ' B' ' 127' ' ' ILE . 16.8 m-20 -68.42 -46.36 70.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.031 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.582 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -59.1 -49.43 77.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.487 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.685 ' HZ ' HD23 ' D' ' 84' ' ' LEU . 14.3 t80 -64.01 -34.7 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.704 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -35.03 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.496 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 0.656 ' CD1' HD11 ' B' ' 127' ' ' ILE . 55.4 mt -72.38 -49.73 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.002 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.669 ' O ' ' HB ' ' D' ' 132' ' ' THR . 3.7 t-80 -67.59 -36.53 81.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.891 ' O ' HG23 ' D' ' 133' ' ' VAL . 2.5 t30 -66.56 -60.11 3.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.3 65.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.69 HG21 ' CG2' ' C' ' 57' ' ' ILE . 70.1 mt -54.53 -45.67 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.401 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.669 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -57.18 -44.29 83.4 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.315 0.579 . . . . 0.0 109.746 179.1 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.891 HG23 ' O ' ' D' ' 129' ' ' ASN . 46.4 t -57.29 -44.73 84.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.659 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -33.09 74.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.998 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . 0.45 ' HE2' ' HB2' ' D' ' 135' ' ' MET . 13.7 ttm -60.47 -46.03 91.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.547 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -67.48 -34.09 76.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.765 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -67.93 -63.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 61.34 114.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.956 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.423 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.3 t-20 . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.507 0.194 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 34.7 Cg_exo -60.46 -52.83 3.43 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.482 2.121 . . . . 0.0 112.133 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.98 -29.18 11.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.357 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.6 73.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.852 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -68.19 -54.03 20.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 3.6 tttp -54.83 -43.29 72.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.982 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.64 -48.28 81.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.994 0.426 . . . . 0.0 109.865 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.57 ' NE2' HG23 ' A' ' 15' ' ' VAL . 30.3 tp60 -64.06 -31.9 73.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.671 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 8' ' ' GLU . 57.9 t -61.21 -55.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.453 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 42' ' ' LEU . 16.1 mt -54.01 -44.25 70.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.019 0.438 . . . . 0.0 110.031 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -28.61 68.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.604 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.834 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.2 t -73.87 -37.11 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.874 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.58 ' CD2' HD13 ' D' ' 112' ' ' LEU . 61.4 mt -64.05 -40.8 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.614 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -68.07 -44.1 77.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.827 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -54.5 40.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.026 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.68 HD22 HD12 ' D' ' 100' ' ' LEU . 71.7 mt -52.96 -56.53 15.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.437 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.447 ' CA ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -48.76 -37.85 20.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.974 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.78 -51.21 60.07 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.099 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.751 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.2 OUTLIER -57.35 -34.91 69.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 111.157 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.802 HD23 HD21 ' D' ' 100' ' ' LEU . 21.8 mt -66.59 -50.34 63.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.51 -27.69 64.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.398 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.75 -36.68 25.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.138 0.494 . . . . 0.0 110.223 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -76.01 -32.13 59.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.316 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.41 21.23 5.57 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.553 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 2.7 m-20 -112.85 81.12 1.44 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.05 0.452 . . . . 0.0 109.98 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.85 21.25 6.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.209 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 m -93.69 -44.29 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.491 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.631 ' HB3' HD11 ' D' ' 96' ' ' ILE . 5.5 mp0 -73.21 -25.6 60.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.544 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -48.69 -40.37 27.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.703 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.01 -32.93 68.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.073 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -74.91 -41.22 60.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.175 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.678 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -67.16 -34.88 78.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.228 179.485 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -75.87 -35.52 59.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.676 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.018 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.16 -41.93 73.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.131 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 3.0 t80 -71.47 -51.05 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.505 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.477 ' CE2' ' HD3' ' A' ' 43' ' ' LYS . 80.6 t80 -54.0 -54.3 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.539 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.3 -52.2 66.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.498 HG22 ' CD2' ' A' ' 47' ' ' PHE . 85.0 m -58.62 -36.09 73.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.944 0.402 . . . . 0.0 110.476 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.575 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -62.32 -32.22 72.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.115 179.115 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HD3' ' CE2' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -78.32 -30.61 48.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.298 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -43.42 140.34 2.28 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.667 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.33 -44.9 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.616 2.211 . . . . 0.0 112.403 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.4 OUTLIER -59.1 -55.21 37.92 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.153 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CE1' HD21 ' A' ' 51' ' ' LEU . 11.9 t80 -56.94 -40.28 76.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.16 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -57.43 -44.46 84.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.506 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -58.16 -38.9 77.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.263 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.444 HG12 HD21 ' C' ' 53' ' ' LEU . 4.3 mt -61.83 -52.49 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.909 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.625 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.58 -35.42 80.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.9 m -53.59 -50.19 66.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.285 0.564 . . . . 0.0 109.706 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.821 HD21 HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -58.89 -45.19 90.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.407 178.481 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.726 HE21 ' HB2' ' D' ' 124' ' ' ALA . 5.6 mm-40 -60.98 -31.8 71.38 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.799 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -61.04 -42.92 99.38 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.662 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -43.78 96.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.523 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.914 HG21 HG21 ' B' ' 131' ' ' ILE . 62.0 mt -60.24 -38.29 76.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.793 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -38.9 80.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.929 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.45 -40.03 94.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.272 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.4 mt -55.22 -50.33 69.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.579 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -60.37 -42.59 96.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.85 -54.23 38.67 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -37.52 77.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.2 mt -75.12 87.98 2.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.758 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.749 0.309 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.758 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -172.54 49.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.077 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.9 160.1 27.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.706 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.646 HG22 ' ND2' ' B' ' 129' ' ' ASN . 0.2 OUTLIER -92.92 -54.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.401 . . . . 0.0 110.892 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 1.045 HD13 ' HB3' ' C' ' 37' ' ' ALA . 2.8 tp 62.49 52.68 2.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 84' ' ' LEU . 5.1 mm-40 -37.39 126.12 1.05 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.645 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.916 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -49.44 -27.43 2.74 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.651 -179.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.54 -40.81 96.27 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.246 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -37.96 33.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.143 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.899 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.2 -28.88 63.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.319 179.399 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 50.6 t80 -72.5 -50.0 29.0 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -28.92 69.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . 0.418 ' C ' HD12 ' B' ' 96' ' ' ILE . 28.7 t -63.57 -53.44 51.74 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.456 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.805 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.4 OUTLIER -58.84 -34.08 71.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -59.73 -42.96 94.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.438 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.453 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.5 t60 -68.33 -52.85 28.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.753 HG23 HD21 ' C' ' 23' ' ' LEU . 9.6 mt -51.68 -39.61 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.994 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.859 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -62.44 -51.93 65.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -80.2 -4.6 53.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.418 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . 0.402 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -96.76 -33.54 11.66 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.41 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.949 HD12 HD11 ' B' ' 109' ' ' ILE . 27.1 mt -90.96 -57.9 2.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.165 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.81 36.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.778 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -96.61 26.03 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.629 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' B' ' 106' ' ' GLN . 0.5 OUTLIER 66.51 -72.42 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.59 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -61.81 -29.11 69.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.153 0.502 . . . . 0.0 109.668 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.761 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -72.28 -46.32 56.31 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.76 179.337 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' B' ' 103' ' ' SER . 4.2 pt20 -63.77 -30.4 71.5 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.587 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -40.98 66.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 0.0 110.256 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.777 ' CG ' HG22 ' C' ' 15' ' ' VAL . 49.7 m-20 -70.67 -42.34 70.88 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.949 HD11 HD12 ' B' ' 100' ' ' LEU . 5.7 mt -60.73 -49.38 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.492 178.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.633 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.3 m -56.35 -34.89 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.095 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.539 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -58.56 -51.56 69.36 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.211 179.11 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.89 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.4 mt -61.18 -43.04 99.5 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' B' ' 110' ' ' SER . 4.4 mt -56.35 -49.74 73.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.681 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.422 ' HA ' ' CG ' ' B' ' 117' ' ' GLN . 6.3 mt-30 -60.93 -44.0 97.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.62 ' CD2' HG21 ' C' ' 12' ' ' VAL . 3.0 mp -60.31 -41.45 93.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.737 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.916 HG13 HG12 ' B' ' 86' ' ' ILE . 64.5 t -65.09 -53.6 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.534 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 113' ' ' LEU . 0.1 OUTLIER -65.54 -16.32 63.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.85 -179.28 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.43 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 0.7 OUTLIER -54.95 131.54 44.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.824 0.345 . . . . 0.0 110.642 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.36 -58.69 7.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.59 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.52 -48.64 80.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' B' ' 115' ' ' LEU . 12.2 t80 -55.74 -53.26 58.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.57 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.419 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 1.4 mt-30 -49.76 -40.18 40.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.383 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -59.95 -45.67 91.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.878 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -61.31 -43.82 98.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.519 ' CB ' HD11 ' B' ' 86' ' ' ILE . 3.5 t80 -64.41 -36.54 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.203 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 2.9 mmtt -68.26 -40.79 81.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.993 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 1.132 HD11 HD11 ' D' ' 127' ' ' ILE . 6.1 mt -60.92 -49.92 82.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.097 0.475 . . . . 0.0 110.607 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.727 ' O ' ' HB ' ' B' ' 132' ' ' THR . 28.0 t-80 -69.55 -35.37 75.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.449 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.871 ' O ' HG23 ' B' ' 133' ' ' VAL . 9.7 t-20 -55.36 -60.48 3.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.579 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.82 -49.74 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.627 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.914 HG21 HG21 ' A' ' 57' ' ' ILE . 81.8 mt -56.74 -47.11 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.237 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.727 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -55.51 -47.81 75.65 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.316 0.579 . . . . 0.0 109.563 179.092 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.871 HG23 ' O ' ' B' ' 129' ' ' ASN . 63.3 t -55.27 -48.28 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.464 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.14 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . 0.484 ' HE2' HG22 ' B' ' 131' ' ' ILE . 0.0 OUTLIER -66.4 -44.23 83.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.514 179.757 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.58 -52.73 63.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -70.53 -55.11 9.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 61.83 105.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.085 -0.96 . . . . 0.0 111.01 -179.913 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.545 0.212 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -63.85 -27.62 67.4 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.456 2.104 . . . . 0.0 112.4 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.99 -30.95 65.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.98 99.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.802 ' O ' HG23 ' C' ' 12' ' ' VAL . 3.8 mt-10 -62.96 -49.03 76.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 7.0 ttpt -58.5 -43.3 89.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 2.4 mmt -61.02 -45.05 96.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.862 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.5 ' NE2' HG23 ' C' ' 15' ' ' VAL . 31.8 tp60 -67.46 -33.78 75.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.5 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.802 HG23 ' O ' ' C' ' 8' ' ' GLU . 50.8 t -62.71 -52.58 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.819 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.71 ' HA ' HD12 ' C' ' 16' ' ' LEU . 13.6 mt -58.11 -40.69 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.384 . . . . 0.0 110.14 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -28.53 64.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.684 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.807 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.1 t -72.23 -41.0 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.767 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.723 HD13 ' HA ' ' C' ' 39' ' ' TYR . 5.5 mt -64.07 -41.46 97.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.643 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.49 -40.88 96.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.532 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -69.7 -54.45 13.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.729 HD12 HD11 ' B' ' 112' ' ' LEU . 77.1 mt -54.37 -55.45 28.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.13 0.491 . . . . 0.0 110.337 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.653 ' N ' HD12 ' C' ' 35' ' ' LEU . 4.1 tmm_? -52.37 -41.02 62.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.139 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.26 97.28 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.196 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.483 ' HB3' HD22 ' B' ' 100' ' ' LEU . 2.4 mttm -66.98 -32.55 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.946 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.753 HD21 HG23 ' B' ' 96' ' ' ILE . 41.6 mt -67.73 -50.77 55.6 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.17 0.509 . . . . 0.0 110.168 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -26.67 68.88 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.177 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.99 -34.84 26.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.625 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.444 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.3 OUTLIER -79.33 -29.29 42.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.434 -179.591 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.37 14.25 4.99 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.708 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -108.05 79.82 1.31 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.977 0.418 . . . . 0.0 109.953 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.77 23.7 4.61 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.202 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . 0.663 HG22 HE21 ' C' ' 31' ' ' GLN . 3.9 m -102.43 -54.58 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.124 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.663 HE21 HG22 ' C' ' 30' ' ' THR . 2.1 mm-40 -74.84 -21.11 59.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.548 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . 0.499 ' HA ' ' HG2' ' C' ' 20' ' ' ARG . 0.0 OUTLIER -55.26 -34.24 63.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.038 0.447 . . . . 0.0 110.272 179.548 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -32.9 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.57 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -65.17 -44.64 87.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.739 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.653 HD12 ' N ' ' C' ' 20' ' ' ARG . 2.2 mt -62.78 -31.97 73.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.456 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 50.2 m -75.77 -34.64 60.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.924 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 1.045 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -71.82 -45.73 60.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.355 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.762 ' CE2' HD11 ' C' ' 42' ' ' LEU . 51.3 t80 -66.61 -50.96 61.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.175 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.723 ' HA ' HD13 ' C' ' 16' ' ' LEU . 8.7 t80 -54.95 -53.7 52.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.063 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.505 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 2.0 mt-10 -57.96 -48.8 78.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.772 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.661 HG22 ' CD2' ' C' ' 47' ' ' PHE . 91.3 m -53.77 -39.9 65.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.302 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.762 HD11 ' CE2' ' C' ' 38' ' ' PHE . 4.5 mt -63.66 -33.56 75.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.202 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.505 ' HG3' ' HA ' ' C' ' 40' ' ' GLU . 3.0 mmmt -69.99 -29.6 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.759 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -45.76 133.95 6.5 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.264 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.03 -47.53 2.36 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.501 2.134 . . . . 0.0 112.178 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.714 HD11 HD11 ' A' ' 57' ' ' ILE . 2.1 tp -62.73 -52.06 64.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.226 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.661 ' CD2' HG22 ' C' ' 41' ' ' THR . 13.2 t80 -55.39 -43.51 75.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.512 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -57.15 -39.59 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.319 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.27 -37.72 88.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.501 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.821 HG12 HD21 ' A' ' 53' ' ' LEU . 3.3 mt -61.7 -46.49 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.469 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.616 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -64.35 -39.58 94.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.082 179.619 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 26.5 m -53.72 -46.58 70.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.985 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.444 HD21 HG12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -60.21 -45.1 94.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.797 178.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.59 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.3 OUTLIER -59.47 -35.94 75.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.262 179.224 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -63.12 -39.2 94.0 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.138 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 45.8 t -60.81 -46.45 90.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.867 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.878 HG21 HG21 ' D' ' 131' ' ' ILE . 7.5 mt -60.93 -35.25 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.12 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -60.14 -40.61 90.41 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.751 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.8 -43.59 98.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.959 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -51.12 -50.94 57.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.508 179.274 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.577 ' HA ' HD12 ' C' ' 64' ' ' LEU . 0.0 OUTLIER -56.99 -48.26 78.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.044 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.3 -10.71 79.09 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 113.017 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' C' ' 65' ' ' SER . 2.5 mt-30 -120.03 -80.05 0.61 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.857 0.328 . . . . 0.0 111.255 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' C' ' 61' ' ' LYS . 0.2 OUTLIER 52.37 -87.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.17 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . 0.428 ' N ' ' O ' ' C' ' 63' ' ' GLN . 10.7 t . . . . . 0 C--N 1.332 -0.193 0 CA-C-O 120.886 0.374 . . . . 0.0 110.701 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.716 0.294 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m 42.95 38.73 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.715 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.72 133.42 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.733 HD11 HG22 ' D' ' 133' ' ' VAL . 0.3 OUTLIER -89.28 -166.82 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.022 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 1.018 HD13 ' HB3' ' A' ' 37' ' ' ALA . 56.9 tp -157.68 -39.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 111.306 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.26 100.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.044 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.941 HG12 HG13 ' D' ' 116' ' ' VAL . 0.8 OUTLIER -49.99 -24.96 2.13 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.7 -179.166 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.37 -48.98 77.37 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.85 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -74.69 -36.26 62.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.757 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.722 HD23 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -70.57 -28.75 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.618 179.601 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.593 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.1 t80 -71.86 -48.95 42.39 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 27.1 t -62.0 -28.96 69.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.697 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . 0.777 ' C ' HD12 ' D' ' 96' ' ' ILE . 2.3 t -64.71 -53.54 45.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.818 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.775 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -57.83 -37.71 74.33 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 120.849 0.357 . . . . 0.0 110.304 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -59.22 -43.24 92.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.822 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . 0.493 ' CE1' ' HG1' ' D' ' 99' ' ' THR . 2.1 t60 -68.57 -53.97 19.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.777 HD12 ' C ' ' D' ' 92' ' ' SER . 5.4 mt -50.68 -37.47 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.048 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.807 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.2 OUTLIER -64.32 -48.82 74.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.752 179.432 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -1.98 52.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.409 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . 0.493 ' HG1' ' CE1' ' D' ' 95' ' ' HIS . 1.6 m -100.54 -34.37 9.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.577 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.802 HD21 HD23 ' A' ' 23' ' ' LEU . 15.0 mt -87.62 -53.95 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.413 . . . . 0.0 110.226 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.84 37.1 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.646 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.2 OUTLIER -97.56 23.14 8.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.743 179.651 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 33.1 t 65.8 -71.71 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.72 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' D' ' 102' ' ' ASP . 39.3 tp60 -60.9 -30.96 70.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.147 0.499 . . . . 0.0 109.94 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.835 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.4 OUTLIER -70.8 -39.65 72.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.475 179.501 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.71 -36.04 82.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.948 0.404 . . . . 0.0 110.261 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.57 -40.46 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.752 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.759 ' HB3' HG13 ' A' ' 15' ' ' VAL . 41.5 m-20 -70.7 -44.16 67.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.835 HD12 ' O ' ' D' ' 105' ' ' SER . 4.2 mt -58.72 -49.41 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.428 178.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.627 ' HA ' HD12 ' D' ' 113' ' ' LEU . 70.8 m -57.35 -34.77 69.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.024 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.717 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.78 -51.34 69.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.941 179.067 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.834 HD21 ' CG1' ' A' ' 15' ' ' VAL . 1.1 mt -63.73 -40.18 96.12 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.439 178.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.628 ' CD1' HG22 ' D' ' 109' ' ' ILE . 5.8 mt -59.17 -40.49 85.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.616 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -52.49 64.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.43 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.542 ' CD2' HG21 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -60.27 -50.66 72.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.299 0.571 . . . . 0.0 109.72 179.133 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.941 HG13 HG12 ' D' ' 86' ' ' ILE . 89.2 t -54.3 -40.85 49.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.442 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.436 ' HG2' ' CZ ' ' D' ' 90' ' ' PHE . 70.9 mt-30 -86.54 -7.8 58.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.646 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.87 131.64 47.28 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.778 0.323 . . . . 0.0 110.429 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -58.61 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.682 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.31 -50.05 74.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.414 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.1 t80 -55.73 -55.63 29.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.39 . . . . 0.0 110.785 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -54.48 -35.06 62.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.231 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.595 ' O ' HG13 ' D' ' 127' ' ' ILE . 97.0 m-20 -61.08 -51.41 69.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.793 0.33 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.726 ' HB2' HE21 ' A' ' 54' ' ' GLN . . . -56.32 -49.1 75.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.214 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.647 ' HB3' HD12 ' D' ' 86' ' ' ILE . 1.7 t80 -53.64 -41.52 66.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -36.38 83.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.455 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 1.132 HD11 HD11 ' B' ' 127' ' ' ILE . 13.8 mt -63.2 -49.71 82.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.082 0.468 . . . . 0.0 110.427 179.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.792 ' O ' ' HB ' ' D' ' 132' ' ' THR . 13.5 t-80 -66.13 -27.87 68.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.694 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.846 ' O ' HG23 ' D' ' 133' ' ' VAL . 6.9 t-20 -64.87 -60.62 2.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.734 0.302 . . . . 0.0 111.662 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.22 -50.72 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.945 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.878 HG21 HG21 ' C' ' 57' ' ' ILE . 54.0 mt -53.81 -40.29 43.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.243 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.792 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.6 OUTLIER -63.3 -50.58 69.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.329 0.585 . . . . 0.0 109.484 178.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.846 HG23 ' O ' ' D' ' 129' ' ' ASN . 53.7 t -55.42 -50.08 68.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.9 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -63.33 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.296 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.13 -54.33 48.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.815 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -69.45 -35.07 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.946 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.76 -54.5 46.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 59.63 -179.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.915 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 13.8 t-20 . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.572 0.225 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 39.1 Cg_exo -59.62 -53.26 3.5 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.435 2.09 . . . . 0.0 112.058 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.72 -28.8 23.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.241 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 4' ' ' ASN . . . -57.9 -37.53 74.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.036 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.785 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -62.82 -58.21 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.73 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 7.6 ttpt -57.7 -41.79 82.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.53 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -42.69 98.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.517 ' NE2' HG23 ' A' ' 15' ' ' VAL . 22.8 tp60 -69.27 -33.37 73.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.496 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 8' ' ' GLU . 70.8 t -60.45 -56.15 19.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.291 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.848 HD13 ' NZ ' ' A' ' 43' ' ' LYS . 24.3 mt -53.86 -47.33 71.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.004 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -28.19 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.729 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.814 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.1 t -73.93 -36.79 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.132 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 13' ' ' LEU . 21.0 mt -64.32 -41.89 96.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -39.24 74.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.772 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -54.09 28.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.999 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.621 HD12 HD11 ' D' ' 112' ' ' LEU . 66.4 mt -55.37 -57.78 10.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.028 0.442 . . . . 0.0 110.759 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.766 ' HB3' HD12 ' A' ' 35' ' ' LEU . 4.4 ppt_? -55.01 -30.17 58.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.71 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.26 -48.85 65.33 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.865 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HB3' HD22 ' D' ' 100' ' ' LEU . 2.7 mttm -60.95 -32.93 72.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.38 . . . . 0.0 110.433 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 20' ' ' ARG . 39.6 mt -65.1 -50.4 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.455 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HG3' ' ND2' ' A' ' 32' ' ' ASN . 0.4 OUTLIER -58.6 -27.02 64.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.895 178.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.19 -29.39 31.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.517 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.1 OUTLIER -84.08 -38.32 20.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.448 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.96 -17.92 5.96 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.919 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 8.8 m-20 -92.93 68.88 4.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.032 0.444 . . . . 0.0 110.02 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 32' ' ' ASN . 1.5 t -86.07 13.34 7.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.642 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.22 -35.32 73.8 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.627 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -79.94 -22.73 42.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.714 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 29' ' ' THR . 2.8 m-20 -48.51 -46.11 38.06 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.82 0.343 . . . . 0.0 110.633 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -32.52 66.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.903 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -72.14 -36.57 69.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.264 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.766 HD12 ' HB3' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -70.24 -39.84 74.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.0 p -72.23 -37.63 69.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.393 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.71 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -61.18 -47.13 87.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.605 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.507 ' HB2' HD22 ' D' ' 84' ' ' LEU . 4.3 t80 -69.77 -36.22 75.57 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.262 178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.618 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -53.87 -54.08 43.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.357 179.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.88 -52.16 52.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.006 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.9 m -53.04 -27.83 21.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.826 0.346 . . . . 0.0 110.532 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.658 HD12 HD11 ' A' ' 16' ' ' LEU . 5.9 mt -75.51 -39.07 58.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.848 ' NZ ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -67.35 -24.95 65.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.884 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -46.71 119.74 5.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.388 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.37 -45.34 12.08 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.531 2.154 . . . . 0.0 111.945 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.749 HD11 HD11 ' C' ' 57' ' ' ILE . 0.5 OUTLIER -59.86 -44.73 94.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.004 179.501 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.49 ' CE1' HD21 ' A' ' 51' ' ' LEU . 16.0 t80 -57.8 -45.22 86.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.473 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -56.73 -40.04 75.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.485 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -61.01 -40.59 94.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.508 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.708 HG12 HD21 ' C' ' 53' ' ' LEU . 1.9 mt -60.25 -48.44 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.747 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.602 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -64.92 -40.68 95.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.446 179.586 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.7 m -53.6 -47.17 70.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.018 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.859 HD21 HG12 ' C' ' 50' ' ' ILE . 1.1 tt -58.24 -45.54 87.56 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.669 178.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.563 ' HA ' HD12 ' A' ' 57' ' ' ILE . 15.3 mt-30 -60.93 -33.93 73.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.82 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -41.13 90.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.763 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 m -61.3 -49.13 78.27 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.867 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.698 ' CG1' HD12 ' C' ' 46' ' ' LEU . 15.0 mt -61.63 -37.55 78.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.967 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -35.98 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.016 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -58.46 -61.28 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.836 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' CA ' ' HG ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -49.43 -46.2 47.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.567 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG2' ' HG3' ' B' ' 135' ' ' MET . 5.8 mtmt -47.99 -44.45 30.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.724 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.76 15.73 37.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.799 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -143.84 20.84 1.81 Allowed 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' HG ' ' CA ' ' A' ' 60' ' ' LEU . 13.0 mt -100.66 45.88 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.964 0.412 . . . . 0.0 110.722 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.7 p . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 -179.812 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.772 0.32 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 32.7 m -155.31 39.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.405 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' C' ' 37' ' ' ALA . 4.3 mmmt -72.39 135.4 45.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.62 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.651 HG22 ' HB2' ' B' ' 129' ' ' ASN . 0.2 OUTLIER -92.21 -61.42 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 0.0 111.019 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 1.061 HD13 ' HB3' ' C' ' 37' ' ' ALA . 2.7 tp 63.52 53.17 2.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.15 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -41.11 128.2 2.8 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.492 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.866 HG12 HG13 ' B' ' 116' ' ' VAL . 0.7 OUTLIER -49.43 -24.99 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.832 -178.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.87 -45.95 87.12 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.339 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -36.09 53.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.037 0.446 . . . . 0.0 109.942 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.694 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.48 -30.22 64.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.675 179.7 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 15.3 t80 -72.47 -45.8 57.84 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 23.1 m -63.06 -31.4 72.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.532 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . 0.844 ' O ' HD12 ' B' ' 96' ' ' ILE . 1.5 m -63.07 -53.27 56.33 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.305 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.712 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.6 OUTLIER -56.46 -34.87 67.28 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.195 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -59.19 -44.4 92.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.616 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.44 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 2.2 t60 -67.18 -55.5 13.86 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.844 HD12 ' O ' ' B' ' 92' ' ' SER . 4.0 mt -50.78 -34.03 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.033 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.572 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -65.57 -50.11 66.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.707 179.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -75.91 -20.25 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.07 0.462 . . . . 0.0 110.427 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -83.4 -36.7 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.922 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.758 HD12 HD11 ' B' ' 109' ' ' ILE . 54.5 mt -103.83 82.72 2.03 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.9 37.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.32 -178.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.16 17.87 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.098 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m 68.99 -68.31 0.19 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.185 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -34.68 69.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.951 0.405 . . . . 0.0 110.379 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.819 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.1 OUTLIER -67.82 -40.62 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.605 179.571 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -32.93 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 0.0 110.145 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.42 -41.71 72.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.693 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.785 ' CG ' HG22 ' C' ' 15' ' ' VAL . 7.8 m-20 -70.27 -43.39 70.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.819 HD12 ' O ' ' B' ' 105' ' ' SER . 4.5 mt -60.28 -49.3 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.507 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.612 ' HA ' HD12 ' B' ' 113' ' ' LEU . 21.7 m -55.71 -34.77 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.841 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.678 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -58.08 -50.99 71.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.769 178.748 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.844 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.2 mt -60.8 -40.7 93.64 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.311 0.577 . . . . 0.0 109.465 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' B' ' 110' ' ' SER . 4.0 mt -62.51 -40.52 97.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.611 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.569 ' HG3' ' N ' ' B' ' 115' ' ' LEU . 0.0 OUTLIER -63.93 -37.68 88.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.178 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.685 HD21 HG21 ' C' ' 12' ' ' VAL . 3.6 mp -70.55 -53.41 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.431 0.634 . . . . 0.0 109.36 178.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.866 HG13 HG12 ' B' ' 86' ' ' ILE . 45.0 t -58.75 -34.95 53.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.55 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.42 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 38.7 mt-30 -87.4 -16.3 35.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.664 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.46 148.85 18.26 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.667 0.27 . . . . 0.0 110.636 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -58.96 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.152 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -59.92 -43.95 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.755 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 10.0 t80 -57.93 -56.37 22.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.419 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -50.01 -35.93 26.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.032 0.444 . . . . 0.0 110.418 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.403 ' HB3' HG12 ' D' ' 127' ' ' ILE . 4.2 m-20 -61.59 -47.8 83.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.629 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.903 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -62.52 -49.25 76.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.297 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.504 ' CD1' HD12 ' B' ' 86' ' ' ILE . 7.6 t80 -62.06 -36.54 81.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.293 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 0.1 OUTLIER -64.47 -40.45 95.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.881 0.372 . . . . 0.0 110.581 -179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 1.066 HD11 HD11 ' D' ' 127' ' ' ILE . 7.0 mt -61.07 -49.85 82.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.115 0.483 . . . . 0.0 110.634 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.776 ' O ' ' HB ' ' B' ' 132' ' ' THR . 38.8 t-80 -65.56 -40.28 92.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.199 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.892 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.0 OUTLIER -55.18 -56.08 24.0 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -178.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' B' ' 129' ' ' ASN . . . -68.35 -51.72 41.28 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.703 HD12 HG22 ' B' ' 127' ' ' ILE . 66.1 mt -56.82 -42.93 78.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.318 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.776 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -58.72 -47.3 85.04 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.436 0.636 . . . . 0.0 109.341 178.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 129' ' ' ASN . 86.3 t -52.54 -50.75 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.735 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -64.31 -30.81 71.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.885 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . 0.431 ' HG3' ' HG2' ' A' ' 61' ' ' LYS . 34.3 ttm -51.49 -58.21 6.9 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.842 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -71.63 -31.99 67.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -71.29 -75.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 62.0 102.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.927 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.715 0.293 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -63.68 -45.11 11.81 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.661 2.24 . . . . 0.0 111.774 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.24 -28.28 11.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.264 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.62 -43.7 89.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.764 ' O ' HG23 ' C' ' 12' ' ' VAL . 10.9 mt-10 -59.28 -55.37 35.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.704 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.0 OUTLIER -60.4 -39.9 89.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.376 179.52 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.7 mmt -61.34 -44.82 96.54 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.515 ' O ' HG23 ' C' ' 15' ' ' VAL . 26.6 tp60 -65.03 -36.5 84.56 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.764 HG23 ' O ' ' C' ' 8' ' ' GLU . 69.6 t -59.59 -49.87 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.543 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.668 HD13 ' HE1' ' C' ' 39' ' ' TYR . 13.7 mt -57.4 -42.15 81.7 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -68.05 -28.52 67.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.53 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.785 HG22 ' CG ' ' B' ' 108' ' ' ASP . 6.4 t -73.38 -38.41 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.716 179.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' C' ' 13' ' ' LEU . 28.5 mt -64.17 -40.15 95.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.832 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.79 -43.12 69.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -65.33 -54.15 33.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.78 HD12 HD11 ' B' ' 112' ' ' LEU . 60.9 mt -52.4 -57.18 10.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.001 0.429 . . . . 0.0 110.619 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.699 ' HB2' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -51.62 -37.77 51.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.039 179.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.44 -45.92 94.75 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.948 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.481 ' HB3' HD22 ' B' ' 100' ' ' LEU . 7.3 mttm -62.63 -35.59 80.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.826 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.581 HD21 HG23 ' B' ' 96' ' ' ILE . 26.9 mt -65.58 -50.13 66.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.366 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.519 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -58.61 -28.46 65.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.073 179.219 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.6 -32.54 28.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.381 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.736 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.5 OUTLIER -80.89 -31.75 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.288 -179.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.79 24.1 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.54 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -118.05 81.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.01 0.433 . . . . 0.0 110.16 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.519 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -93.69 14.96 17.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.382 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . 0.564 HG22 HE21 ' C' ' 31' ' ' GLN . 4.0 m -85.38 -44.43 12.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.309 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.683 ' HB3' HD11 ' B' ' 96' ' ' ILE . 1.5 mm-40 -78.75 -21.54 47.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.572 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . 0.408 ' ND2' ' CG ' ' C' ' 24' ' ' GLN . 22.8 m-20 -53.09 -46.13 68.52 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.0 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -56.7 -32.75 65.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.115 0.483 . . . . 0.0 110.227 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -69.44 -43.93 72.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.289 179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.699 HD12 ' HB2' ' C' ' 20' ' ' ARG . 3.1 mt -61.16 -30.54 70.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.533 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -36.55 63.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 1.061 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -69.53 -50.0 49.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.337 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.745 ' CE2' HD11 ' C' ' 42' ' ' LEU . 40.7 t80 -63.48 -50.53 69.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.416 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.668 ' HE1' HD13 ' C' ' 13' ' ' LEU . 1.7 t80 -55.83 -53.44 56.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.929 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.69 -42.37 88.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.367 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.565 HG22 ' CD2' ' C' ' 47' ' ' PHE . 93.3 m -61.68 -41.05 97.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.159 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.745 HD11 ' CE2' ' C' ' 38' ' ' PHE . 5.4 mt -62.6 -30.37 71.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.132 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -84.69 -27.84 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.579 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 74.6 m -43.74 139.52 2.79 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.597 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 38.7 Cg_exo -59.96 -55.01 1.85 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.553 2.168 . . . . 0.0 112.216 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.698 HD12 ' CG1' ' A' ' 57' ' ' ILE . 3.1 mm? -57.05 -54.97 40.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.936 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.892 ' CE1' HD21 ' C' ' 51' ' ' LEU . 10.5 t80 -50.83 -47.29 60.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.343 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.48 -40.52 71.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.751 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.53 ' HB3' HD12 ' A' ' 53' ' ' LEU . 27.6 mt-30 -65.97 -36.05 82.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.859 HG12 HD21 ' A' ' 53' ' ' LEU . 3.0 mt -62.43 -41.02 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.892 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -70.92 -37.71 72.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.32 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 10.2 m -54.35 -46.97 73.06 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.708 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -61.22 -47.81 84.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.781 178.685 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.447 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.2 OUTLIER -59.78 -32.84 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.829 178.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.7 -38.32 90.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.662 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 6.1 t -60.7 -48.19 82.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.857 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.995 HG21 HG21 ' D' ' 131' ' ' ILE . 44.4 mt -59.86 -39.3 79.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.143 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -36.97 74.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.896 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.08 -38.21 85.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.1 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.834 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.9 mt -57.25 -45.26 84.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.525 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -65.31 -41.6 93.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.115 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.72 -21.57 66.01 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.077 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -88.08 -38.87 15.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.708 0.289 . . . . 0.0 111.22 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 47.7 mt -58.06 -99.85 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 120.821 0.344 . . . . 0.0 111.389 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.76 0.314 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . 0.632 HG21 ' HB2' ' D' ' 136' ' ' ASN . 28.3 m -143.08 32.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.183 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.54 141.86 8.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.696 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.934 HG21 ' HA ' ' D' ' 129' ' ' ASN . 0.0 OUTLIER -107.91 -95.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.22 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 0.821 ' CD2' HD22 ' D' ' 89' ' ' LEU . 11.2 tp 166.92 -39.65 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.71 0.29 . . . . 0.0 110.981 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 63.06 113.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.237 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.926 HG12 HG13 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -55.97 -27.25 22.56 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.692 -179.291 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.64 -47.85 81.94 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.372 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -34.59 56.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.869 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.821 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -72.08 -29.65 64.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.541 179.476 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.2 t80 -72.48 -50.05 28.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.885 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 28.8 t -61.45 -31.07 71.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.485 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 73.5 m -62.36 -53.12 59.6 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.427 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' D' ' 112' ' ' LEU . 1.1 mt -54.62 -37.93 66.2 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' D' ' 90' ' ' PHE . 2.3 mptm? -59.29 -38.7 80.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.39 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.7 t60 -69.9 -54.36 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' D' ' 93' ' ' LEU . 7.7 mt -50.88 -39.08 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.945 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.764 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -64.02 -50.73 67.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.844 179.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -4.05 53.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.38 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . 0.43 ' N ' ' O ' ' D' ' 95' ' ' HIS . 1.4 m -96.71 -35.1 11.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.43 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.891 HD12 HD11 ' D' ' 109' ' ' ILE . 83.0 mt -91.51 -60.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.48 46.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.916 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' D' ' 103' ' ' SER . 0.5 OUTLIER -94.8 -63.53 1.16 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.17 179.251 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' D' ' 102' ' ' ASP . 5.3 t 159.74 -60.39 0.0 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.671 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -71.21 -33.08 69.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.307 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.657 ' O ' HD12 ' D' ' 109' ' ' ILE . 3.0 m -72.1 -35.09 69.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.32 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.96 -42.38 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.057 0.456 . . . . 0.0 110.151 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.8 -38.64 86.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.215 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.754 ' CG ' HG22 ' A' ' 15' ' ' VAL . 84.9 m-20 -70.74 -41.17 72.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.607 0.717 . . . . 0.0 109.164 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.891 HD11 HD12 ' D' ' 100' ' ' LEU . 6.7 mt -60.29 -50.07 81.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.555 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.702 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.0 OUTLIER -58.02 -33.21 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.715 179.223 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.638 HD23 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -56.81 -51.36 69.28 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.67 178.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.85 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.4 mt -63.24 -43.99 96.47 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.411 178.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' D' ' 110' ' ' SER . 8.3 mt -55.92 -40.61 73.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.778 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.83 -52.23 65.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.613 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.476 ' O ' ' CD1' ' D' ' 121' ' ' PHE . 0.7 OUTLIER -60.92 -50.37 73.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.352 0.596 . . . . 0.0 109.999 179.166 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.926 HG13 HG12 ' D' ' 86' ' ' ILE . 51.1 t -58.21 -37.92 65.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.69 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.443 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 43.1 mt-30 -86.17 -10.26 55.07 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.68 134.7 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.854 0.359 . . . . 0.0 110.553 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -58.6 7.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.255 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.63 -50.03 75.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 6.4 t80 -55.99 -48.12 76.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -54.78 -38.98 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.176 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.541 ' O ' HG13 ' D' ' 127' ' ' ILE . 79.5 m-20 -63.7 -51.98 62.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.609 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.96 -49.54 75.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.255 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.512 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 12.9 t80 -54.59 -40.59 68.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.744 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' D' ' 126' ' ' LYS . 0.0 OUTLIER -64.34 -33.86 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.463 179.686 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 1.066 HD11 HD11 ' B' ' 127' ' ' ILE . 56.5 mt -64.38 -49.82 79.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.112 0.482 . . . . 0.0 110.544 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.78 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.0 t-80 -67.77 -28.31 67.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.036 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.934 ' HA ' HG21 ' D' ' 83' ' ' ILE . 0.8 OUTLIER -67.43 -60.54 2.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.293 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.87 68.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.995 HG21 HG21 ' C' ' 57' ' ' ILE . 46.8 mt -55.72 -42.87 71.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.186 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.78 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.3 OUTLIER -61.07 -49.02 79.05 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.392 0.615 . . . . 0.0 109.488 178.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.871 HG23 ' O ' ' D' ' 129' ' ' ASN . 47.8 t -57.01 -45.35 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.439 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -33.44 75.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.322 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 14.3 ttm -59.66 -47.1 86.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.538 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . 0.632 ' HB2' HG21 ' D' ' 81' ' ' VAL . 24.6 t30 -62.7 -50.43 71.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -48.48 81.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.034 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -133.64 124.69 27.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.561 0.22 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.3 -34.48 44.43 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.569 2.179 . . . . 0.0 112.277 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.54 -31.09 70.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.98 -28.18 64.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.034 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.781 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.1 mt-10 -64.35 -58.32 6.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.753 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -61.05 -44.72 96.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.454 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -40.21 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.563 ' NE2' HG23 ' A' ' 15' ' ' VAL . 31.5 tp60 -69.46 -34.32 74.22 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 8' ' ' GLU . 40.0 t -60.52 -55.81 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.516 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.672 ' HA ' HD12 ' A' ' 16' ' ' LEU . 16.8 mt -56.84 -40.84 76.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.013 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -28.66 67.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.318 178.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.811 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.2 t -73.67 -37.61 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.78 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 13' ' ' LEU . 28.3 mt -64.32 -41.3 96.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.802 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -71.04 -36.27 72.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.753 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.1 -54.49 20.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.685 HD22 HD12 ' D' ' 100' ' ' LEU . 92.0 mt -53.68 -48.39 69.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.998 0.428 . . . . 0.0 109.917 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HG3' ' HB2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -49.73 -51.41 39.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.632 179.331 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.92 -46.56 55.2 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.898 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.642 ' HB3' HD22 ' D' ' 100' ' ' LEU . 1.0 OUTLIER -58.91 -31.77 68.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.661 0.267 . . . . 0.0 111.043 179.582 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.573 HD12 ' OD1' ' A' ' 32' ' ' ASN . 27.3 mt -72.99 -45.32 58.57 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.116 0.484 . . . . 0.0 110.428 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.85 -26.55 65.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.155 179.248 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.57 -33.76 27.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.698 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 2.2 mptt -83.31 -32.06 26.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.457 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.15 -18.99 11.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.732 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.474 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 9.0 m-20 -71.46 77.16 0.78 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.012 0.434 . . . . 0.0 110.192 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.18 13.34 9.7 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.923 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.4 m -83.4 -48.8 9.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.718 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.421 ' HG2' ' CD2' ' D' ' 95' ' ' HIS . 2.8 mp0 -73.47 -24.67 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.702 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.573 ' OD1' HD12 ' A' ' 23' ' ' LEU . 29.9 m-20 -51.43 -46.45 62.98 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.693 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -56.91 -32.6 66.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.253 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -70.56 -37.21 73.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.282 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.431 ' HB2' ' HG3' ' A' ' 20' ' ' ARG . 3.1 mt -68.61 -30.29 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.566 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -77.05 -33.14 57.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.002 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.99 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -73.0 -44.75 60.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.383 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CE2' ' CD1' ' A' ' 42' ' ' LEU . 41.9 t80 -68.31 -51.53 43.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.383 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.523 ' CA ' HD13 ' A' ' 16' ' ' LEU . 3.3 t80 -54.06 -51.95 62.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.562 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -57.54 -51.78 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.333 . . . . 0.0 111.078 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.975 HG22 ' CD2' ' A' ' 47' ' ' PHE . 89.5 m -54.17 -49.12 70.03 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.509 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.66 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -54.02 -35.45 61.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.529 179.328 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.505 ' HG3' HD13 ' A' ' 13' ' ' LEU . 18.6 mtpt -79.6 -33.74 41.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.62 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.7 p -47.12 140.89 6.39 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.223 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.85 -38.03 5.89 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.522 2.148 . . . . 0.0 112.193 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.744 HD11 HD13 ' C' ' 57' ' ' ILE . 0.4 OUTLIER -62.05 -55.32 30.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.199 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.975 ' CD2' HG22 ' A' ' 41' ' ' THR . 11.0 t80 -59.21 -42.73 91.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.218 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -56.09 -39.37 72.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.382 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -42.83 99.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.197 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.918 HG12 HD21 ' C' ' 53' ' ' LEU . 10.3 mt -58.46 -49.26 82.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.938 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.737 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -66.06 -34.55 78.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.157 179.714 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -53.46 -49.68 66.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.822 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.661 HD21 HG12 ' C' ' 50' ' ' ILE . 0.5 OUTLIER -61.29 -44.98 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.485 178.627 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.581 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -59.48 -32.91 70.69 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.921 179.04 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -37.97 87.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.009 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -48.99 79.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.905 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 1.067 HG21 HG21 ' B' ' 131' ' ' ILE . 70.3 mt -60.55 -35.75 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.926 178.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -36.29 76.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.716 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.33 -37.11 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.098 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.812 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.3 mt -56.54 -47.5 79.28 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.636 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.533 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 5.4 mttt -64.3 -58.86 5.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.984 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.57 -42.22 83.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.774 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -65.49 -53.39 43.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.673 0.273 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.2 145.64 46.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.96 0.409 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.763 -179.895 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.753 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 120.99 0.424 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.753 HG13 ' O ' ' B' ' 80' ' ' ALA . 9.7 m -164.02 -55.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.714 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.573 ' H ' HG23 ' B' ' 81' ' ' VAL . 6.5 mmtp 52.79 102.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.234 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.838 ' CD1' HG22 ' B' ' 133' ' ' VAL . 1.3 mt -63.99 -146.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.171 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.825 HD21 HD22 ' B' ' 89' ' ' LEU . 7.6 tp -179.82 -36.36 0.01 OUTLIER 'General case' 0 C--O 1.231 0.096 0 O-C-N 122.241 -0.287 . . . . 0.0 111.276 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 56.73 105.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.311 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.906 HG12 HG13 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -50.02 -24.98 2.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.04 -40.87 91.33 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.169 -0.612 . . . . 0.0 109.928 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . 0.437 ' HB3' ' HE2' ' C' ' 34' ' ' LYS . 1.0 OUTLIER -80.86 -37.66 29.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.584 178.516 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.825 HD22 HD21 ' B' ' 84' ' ' LEU . 0.1 OUTLIER -69.53 -32.52 71.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.431 179.382 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 9.3 t80 -72.67 -50.03 27.66 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.901 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.1 m -62.12 -30.42 71.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . 0.416 ' HA ' ' OE1' ' C' ' 31' ' ' GLN . 0.4 OUTLIER -62.02 -53.02 61.44 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.372 179.283 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.73 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -56.07 -37.15 68.93 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.581 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' B' ' 97' ' ' GLN . 70.5 mmtt -59.89 -37.76 80.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.856 179.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.527 ' CE1' ' HG1' ' B' ' 99' ' ' THR . 1.2 t60 -72.32 -49.9 30.99 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' B' ' 93' ' ' LEU . 9.2 mt -53.62 -43.32 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.454 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.856 ' HB3' HG21 ' B' ' 109' ' ' ILE . 10.8 pt20 -64.56 -41.19 96.47 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.468 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.413 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 29.8 t-80 -86.38 -0.7 56.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.498 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . 0.527 ' HG1' ' CE1' ' B' ' 95' ' ' HIS . 1.2 m -102.28 -35.82 8.71 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.432 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.845 HD12 HD11 ' B' ' 109' ' ' ILE . 75.4 mt -88.39 -53.91 4.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.477 . . . . 0.0 109.831 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.57 43.88 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.008 178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' B' ' 103' ' ' SER . 4.6 m-20 -95.3 -63.76 1.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.055 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' B' ' 102' ' ' ASP . 1.2 m 159.26 -58.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.964 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -29.94 66.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.557 178.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.657 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.2 OUTLIER -72.26 -38.24 68.89 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.577 179.251 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -42.52 93.87 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.07 0.462 . . . . 0.0 110.517 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -38.55 85.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.146 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.745 ' HB3' HG13 ' C' ' 15' ' ' VAL . 0.5 OUTLIER -70.72 -41.19 72.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.683 0.754 . . . . 0.0 109.13 178.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.856 HG21 ' HB3' ' B' ' 97' ' ' GLN . 8.3 mt -61.63 -49.9 82.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.567 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.712 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.8 t -56.16 -37.07 69.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.008 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.492 HD23 HG22 ' C' ' 12' ' ' VAL . 0.4 OUTLIER -56.58 -51.22 69.43 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.881 178.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.891 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.2 mt -62.69 -44.03 97.28 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' B' ' 110' ' ' SER . 9.0 mt -54.74 -41.69 70.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.835 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.66 -51.98 66.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.973 0.416 . . . . 0.0 110.576 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.542 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.6 mp -59.57 -47.53 85.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.259 0.552 . . . . 0.0 110.224 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.906 HG13 HG12 ' B' ' 86' ' ' ILE . 48.5 t -58.91 -39.84 78.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.696 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.443 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 52.1 mt-30 -82.55 -13.16 57.07 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 130.67 48.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.645 0.26 . . . . 0.0 110.534 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . 0.847 ' NZ ' ' HB1' ' D' ' 130' ' ' ALA . 0.0 OUTLIER -56.54 -59.27 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 111.54 -179.362 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -48.07 80.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.806 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.4 t80 -55.72 -49.42 73.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.687 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -39.58 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.467 ' HB3' HG12 ' D' ' 127' ' ' ILE . 2.5 m-20 -65.33 -43.17 91.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.071 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.957 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -62.34 -49.49 75.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.076 0.465 . . . . 0.0 110.971 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.685 ' CD1' HD12 ' B' ' 86' ' ' ILE . 11.2 t80 -61.6 -34.93 76.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.604 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 0.0 OUTLIER -63.9 -38.15 90.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.255 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 1.034 HD11 HD11 ' D' ' 127' ' ' ILE . 9.2 mt -62.12 -49.79 82.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.117 0.484 . . . . 0.0 110.331 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.622 ' O ' ' HB ' ' B' ' 132' ' ' THR . 17.4 t-80 -65.38 -28.03 68.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.176 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.862 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.6 OUTLIER -66.57 -61.19 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.17 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.81 -50.61 64.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.652 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 1.067 HG21 HG21 ' A' ' 57' ' ' ILE . 54.9 mt -53.62 -42.63 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.519 0.199 . . . . 0.0 110.811 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.622 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.7 OUTLIER -57.86 -49.83 75.38 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.488 0.661 . . . . 0.0 109.389 178.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.862 HG23 ' O ' ' B' ' 129' ' ' ASN . 24.5 t -53.79 -46.08 62.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -63.27 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.309 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -60.38 3.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.982 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -58.47 -45.39 88.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -30.63 69.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -80.33 170.24 16.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.536 0.208 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.93 -28.45 80.96 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.592 2.195 . . . . 0.0 112.303 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.52 -31.6 70.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.015 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.75 -31.6 69.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.019 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.79 ' O ' HG23 ' C' ' 12' ' ' VAL . 23.7 mt-10 -66.12 -56.87 9.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -43.1 93.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 5.8 mmt -61.71 -53.24 58.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.928 ' O ' HG23 ' C' ' 15' ' ' VAL . 30.4 tp60 -57.69 -39.13 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.686 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.79 HG23 ' O ' ' C' ' 8' ' ' GLU . 24.8 t -54.78 -54.01 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.59 ' HA ' HD12 ' C' ' 16' ' ' LEU . 11.6 mt -53.66 -42.5 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.013 0.435 . . . . 0.0 110.146 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -28.09 65.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.859 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.928 HG23 ' O ' ' C' ' 11' ' ' GLN . 80.1 t -73.22 -39.37 56.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.051 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.596 HD13 ' CA ' ' C' ' 39' ' ' TYR . 16.9 mt -64.75 -43.2 94.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.102 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.67 -43.04 81.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -64.66 -54.13 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.6 HD12 HD11 ' B' ' 112' ' ' LEU . 29.2 mt -54.67 -57.65 10.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.963 0.411 . . . . 0.0 110.692 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.753 ' HB3' HD12 ' C' ' 35' ' ' LEU . 1.9 ppt_? -54.81 -30.1 56.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.864 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.67 -46.89 71.92 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.72 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.618 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.7 mtpp -59.6 -35.63 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.71 0.29 . . . . 0.0 110.465 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.622 HD23 HD21 ' B' ' 100' ' ' LEU . 20.2 mt -66.28 -47.18 74.48 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.057 0.456 . . . . 0.0 110.253 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.436 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -57.75 -28.44 63.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.949 178.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -82.1 -30.85 30.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.693 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.594 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.6 OUTLIER -83.83 -33.15 24.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.318 -179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.39 11.89 5.92 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.804 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -104.65 81.86 1.83 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.976 0.417 . . . . 0.0 110.003 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.436 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -92.52 19.52 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.037 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 55.3 m -91.13 -39.75 11.97 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.669 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.603 ' HB2' HD13 ' C' ' 23' ' ' LEU . 1.2 mm-40 -83.26 -24.22 32.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . 0.426 ' ND2' ' CG ' ' C' ' 24' ' ' GLN . 99.4 m-20 -51.68 -39.82 58.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.369 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.12 -41.02 95.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' C' ' 31' ' ' GLN . 2.8 mptt -59.49 -54.9 41.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.084 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.753 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.3 mt -57.85 -39.77 78.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -73.44 -29.95 62.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.127 0.489 . . . . 0.0 109.941 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.702 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.03 -46.48 56.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.666 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.894 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 9.0 t80 -71.05 -43.6 67.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.285 0.564 . . . . 0.0 110.002 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.596 ' CA ' HD13 ' C' ' 16' ' ' LEU . 22.4 t80 -55.4 -53.47 55.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.426 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 0.2 OUTLIER -59.33 -50.41 74.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.621 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.769 HG22 ' CD2' ' C' ' 47' ' ' PHE . 86.9 m -56.26 -40.56 74.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.894 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 3.8 mt -59.84 -35.42 74.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.146 0.498 . . . . 0.0 110.278 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.464 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 1.0 OUTLIER -70.91 -31.1 67.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.703 179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.23 124.05 5.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.361 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.9 -50.31 7.96 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.428 2.085 . . . . 0.0 112.092 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.757 HD11 HD11 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.91 -52.79 64.05 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.336 179.74 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.769 ' CD2' HG22 ' C' ' 41' ' ' THR . 15.4 t80 -56.18 -38.49 71.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -57.95 -41.68 83.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.25 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.42 ' HB3' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -63.08 -36.44 83.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.995 179.039 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.728 HD12 ' HD1' ' C' ' 47' ' ' PHE . 12.7 mt -58.74 -48.99 84.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.724 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.571 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.5 OUTLIER -66.16 -42.16 89.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.345 179.707 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 10.0 m -55.85 -41.56 74.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.187 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.918 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -61.47 -49.98 74.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.071 179.231 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.551 ' OE1' HD23 ' C' ' 53' ' ' LEU . 0.0 OUTLIER -60.04 -34.98 74.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.352 179.443 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -61.26 -40.32 93.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.085 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 7.7 t -61.85 -45.89 91.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.86 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.755 ' CG2' HG21 ' D' ' 131' ' ' ILE . 5.3 mt -59.99 -36.86 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.212 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -39.95 91.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.94 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -63.28 -38.74 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.252 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -57.83 -47.59 82.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.47 179.43 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.469 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 13.2 mtmt -60.07 -56.82 16.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.79 94.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -52.41 63.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mp -75.05 107.49 7.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.818 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . 0.699 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.918 0.389 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . 0.699 HG13 ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER 178.84 37.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.952 -179.679 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.51 141.19 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.735 HD12 HG22 ' D' ' 132' ' ' THR . 0.7 OUTLIER -90.2 -168.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.769 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 0.99 HD13 ' HB3' ' A' ' 37' ' ' ALA . 16.2 tp -152.09 -37.86 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.3 OUTLIER 53.65 109.7 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.951 -179.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.975 HG12 HG13 ' D' ' 116' ' ' VAL . 1.0 OUTLIER -49.93 -27.18 3.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.447 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.409 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.05 -43.95 93.95 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.233 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -34.55 41.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.738 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.841 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.17 -30.07 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.254 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.558 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 26.4 t80 -72.46 -50.44 26.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.866 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 38.7 m -61.96 -29.44 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.555 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 58.8 m -63.52 -52.86 59.39 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.456 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.746 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.7 OUTLIER -57.02 -36.78 70.85 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.519 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -59.56 -39.52 84.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.455 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.2 t60 -69.45 -52.77 23.56 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' D' ' 93' ' ' LEU . 11.7 mt -51.5 -41.29 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.97 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.892 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -61.57 -52.12 65.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.064 179.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.09 -5.19 55.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 0.0 110.312 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.9 m -94.43 -33.06 13.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.394 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.685 HD12 HD22 ' A' ' 19' ' ' LEU . 18.2 mt -90.61 -51.82 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.348 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.61 35.7 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.726 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . 0.405 ' HB2' ' HB2' ' D' ' 105' ' ' SER . 0.7 OUTLIER -98.74 22.07 10.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.646 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.0 -71.65 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -59.15 -33.07 70.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.14 0.495 . . . . 0.0 110.025 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.818 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.5 OUTLIER -68.89 -39.8 79.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.347 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.63 -35.67 80.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.145 0.498 . . . . 0.0 110.288 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -41.48 77.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.678 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.72 ' CG ' HG22 ' A' ' 15' ' ' VAL . 42.7 m-20 -70.43 -43.0 70.82 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.892 HD13 ' HA ' ' D' ' 97' ' ' GLN . 5.2 mt -59.8 -49.2 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.623 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.631 ' HA ' HD12 ' D' ' 113' ' ' LEU . 8.3 t -55.83 -36.94 68.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.08 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.734 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.86 -51.47 68.92 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.29 179.043 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.877 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.8 mt -60.82 -43.18 98.55 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' D' ' 110' ' ' SER . 4.0 mt -56.47 -48.5 76.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.58 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . 0.424 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 33.2 mt-30 -60.86 -45.97 92.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.074 0.464 . . . . 0.0 110.458 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.735 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.1 mp -58.59 -38.51 78.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.958 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.975 HG13 HG12 ' D' ' 86' ' ' ILE . 76.2 t -69.34 -53.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.744 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.1 OUTLIER -62.95 -17.75 62.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.917 -179.134 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . 0.416 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 1.1 m-20 -51.27 134.57 27.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.675 0.274 . . . . 0.0 110.638 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -61.51 -59.03 5.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.496 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.1 -50.02 74.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.374 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.448 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 10.3 t80 -56.71 -46.78 81.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.603 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.55 -40.77 65.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.524 ' HB3' HG12 ' B' ' 127' ' ' ILE . 6.1 m-80 -68.03 -48.23 66.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.859 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.901 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -57.16 -49.09 77.04 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.192 0.52 . . . . 0.0 110.823 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.577 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 14.1 t80 -59.36 -38.79 81.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.99 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -62.08 -37.92 86.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.711 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 1.034 HD11 HD11 ' B' ' 127' ' ' ILE . 12.2 mt -62.84 -49.96 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.748 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.679 ' O ' ' HB ' ' D' ' 132' ' ' THR . 7.3 t-80 -66.88 -38.19 85.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.052 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.909 ' O ' HG23 ' D' ' 133' ' ' VAL . 0.3 OUTLIER -64.54 -60.38 3.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.034 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . 0.847 ' HB1' ' NZ ' ' B' ' 119' ' ' LYS . . . -62.54 -52.56 62.97 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.755 HG21 ' CG2' ' C' ' 57' ' ' ILE . 57.4 mt -55.12 -35.91 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.75 0.31 . . . . 0.0 110.799 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.735 HG22 HD12 ' D' ' 83' ' ' ILE . 0.6 OUTLIER -64.71 -47.91 76.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.472 0.653 . . . . 0.0 109.404 178.437 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.909 HG23 ' O ' ' D' ' 129' ' ' ASN . 21.6 t -52.57 -51.33 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.96 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -63.71 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.277 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.1 ttm -57.33 -62.08 2.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -64.81 -34.52 78.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -63.63 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 62.35 119.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.851 179.878 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.549 0.214 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.46 -28.04 70.74 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.449 2.099 . . . . 0.0 112.233 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.52 -27.45 66.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.019 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.61 97.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.968 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.813 ' O ' HG23 ' A' ' 12' ' ' VAL . 7.8 mt-10 -64.33 -55.03 23.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -59.5 -42.52 92.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.491 179.713 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.2 mmt -61.54 -47.5 85.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.822 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.513 ' O ' HG23 ' A' ' 15' ' ' VAL . 31.3 tp60 -64.83 -34.35 78.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.652 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 8' ' ' GLU . 41.3 t -59.64 -55.61 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.594 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.786 ' HA ' HD12 ' A' ' 16' ' ' LEU . 14.0 mt -54.77 -43.27 72.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.027 0.441 . . . . 0.0 110.134 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -28.58 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.847 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.826 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.7 t -72.04 -39.03 65.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.841 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 13' ' ' LEU . 9.6 mt -64.14 -41.39 97.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.65 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -66.51 -39.68 88.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.844 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -54.23 17.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.684 HD12 HD11 ' D' ' 112' ' ' LEU . 59.9 mt -54.35 -55.39 28.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.894 0.378 . . . . 0.0 110.435 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.798 ' CA ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.04 -38.8 62.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.908 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.97 -41.98 98.11 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.053 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HB3' HD22 ' D' ' 100' ' ' LEU . 14.2 mmtp -64.43 -40.85 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 110.995 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.718 HD21 HG23 ' D' ' 96' ' ' ILE . 19.5 mt -61.65 -50.49 72.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.962 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.8 -27.88 69.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.304 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.57 -32.46 28.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.497 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HE2' ' HA ' ' D' ' 100' ' ' LEU . 0.2 OUTLIER -82.01 -34.42 29.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.273 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.24 -17.19 5.65 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.527 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.37 80.09 1.02 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.928 0.394 . . . . 0.0 110.061 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.652 HG22 HD21 ' A' ' 32' ' ' ASN . 0.2 OUTLIER -90.15 22.47 3.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.736 179.342 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.46 HG22 ' NE2' ' A' ' 31' ' ' GLN . 53.7 m -102.38 -51.06 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.522 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' NE2' HG22 ' A' ' 30' ' ' THR . 0.9 OUTLIER -70.52 -21.41 62.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.58 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.652 HD21 HG22 ' A' ' 29' ' ' THR . 36.5 p-10 -54.57 -42.8 71.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.756 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -32.77 66.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.175 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -72.75 -42.17 64.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.161 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.798 HD12 ' CA ' ' A' ' 20' ' ' ARG . 1.4 mt -66.05 -36.32 82.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.243 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.68 -32.18 60.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.743 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.108 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.83 -44.22 66.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.327 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.64 ' CD2' HD21 ' A' ' 16' ' ' LEU . 2.6 t80 -70.31 -47.36 61.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.401 0.62 . . . . 0.0 109.893 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.718 ' HA ' HD13 ' A' ' 16' ' ' LEU . 24.0 t80 -53.72 -53.32 53.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.092 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -60.56 -52.06 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.756 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.481 HG22 ' CD2' ' A' ' 47' ' ' PHE . 86.0 m -54.54 -41.09 69.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.011 0.434 . . . . 0.0 110.427 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.706 HD22 HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -59.32 -37.38 77.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.188 179.442 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HE2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -70.12 -28.82 65.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.648 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.0 t -45.65 130.32 6.57 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.289 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.83 -51.39 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.356 2.037 . . . . 0.0 112.45 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.908 HD13 HG12 ' C' ' 57' ' ' ILE . 0.2 OUTLIER -58.55 -39.43 80.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.69 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.645 ' CE1' HD21 ' A' ' 51' ' ' LEU . 12.1 t80 -62.49 -43.81 97.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.965 0.412 . . . . 0.0 109.943 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.88 -39.02 70.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.025 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HB3' HD12 ' C' ' 53' ' ' LEU . 2.9 mt-30 -60.79 -42.86 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.038 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.881 HG12 HD21 ' C' ' 53' ' ' LEU . 2.7 mt -58.82 -51.56 70.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.71 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -64.17 -36.31 83.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.174 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.7 m -61.63 -40.76 96.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.318 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.8 HD21 HG12 ' C' ' 50' ' ' ILE . 1.0 OUTLIER -62.19 -51.79 66.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.524 179.682 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.603 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 3.9 pt20 -59.96 -32.04 70.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.055 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -61.62 -41.75 97.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.644 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.2 t -60.89 -42.54 98.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.361 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.785 ' HA ' HD12 ' A' ' 60' ' ' LEU . 3.7 mt -61.42 -35.12 64.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.829 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -60.69 -40.21 91.32 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.554 178.687 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -38.77 92.33 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.136 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -56.3 -47.78 78.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.596 179.395 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.588 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 1.6 mppt? -68.74 -28.32 66.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.43 -23.48 43.44 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.994 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.405 ' HG2' ' HA ' ' A' ' 60' ' ' LEU . 1.8 pt20 -90.64 -30.37 17.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.752 0.31 . . . . 0.0 111.105 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -86.26 79.94 8.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.901 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.807 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.419 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.781 0.324 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.56 HG23 ' N ' ' B' ' 82' ' ' LYS . 29.7 m -155.48 -55.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.125 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.56 ' N ' HG23 ' B' ' 81' ' ' VAL . 0.1 OUTLIER 62.09 121.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.319 . . . . 0.0 110.69 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.904 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -92.75 -171.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.083 0.468 . . . . 0.0 110.996 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.787 HD13 ' HB3' ' C' ' 37' ' ' ALA . 22.9 tp -134.82 -37.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.234 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.63 108.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.555 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.965 HG12 HG13 ' B' ' 116' ' ' VAL . 1.0 OUTLIER -51.29 -27.24 6.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.336 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.02 -42.83 94.04 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.101 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -34.67 39.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.759 178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.827 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.16 -30.98 65.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.203 179.237 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.576 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 33.3 t80 -72.05 -49.86 33.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.739 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 31.0 t -61.73 -29.3 70.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.505 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . 0.404 ' C ' HD12 ' B' ' 96' ' ' ILE . 14.0 t -63.57 -53.1 57.04 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.393 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.773 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.7 OUTLIER -56.89 -36.78 70.53 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.983 0.42 . . . . 0.0 109.889 179.588 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -59.76 -41.37 90.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.8 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.471 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.4 t60 -69.48 -52.71 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.797 HG23 HD21 ' C' ' 23' ' ' LEU . 10.6 mt -51.42 -40.46 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.889 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.851 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -62.45 -50.36 71.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.908 179.724 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -81.94 -1.46 48.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.991 0.424 . . . . 0.0 110.583 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . 0.404 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.4 m -100.3 -33.5 10.37 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.37 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.957 HD12 HD11 ' B' ' 109' ' ' ILE . 70.8 mt -90.24 -52.3 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.27 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.81 35.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.712 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.46 21.01 9.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.932 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.75 -70.79 0.1 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.711 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -32.53 72.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 0.0 109.865 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.791 ' O ' HD12 ' B' ' 109' ' ' ILE . 2.9 m -70.25 -38.71 75.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.502 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.44 -34.44 78.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.116 0.484 . . . . 0.0 110.334 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.49 -39.96 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.765 ' HB3' HG13 ' C' ' 15' ' ' VAL . 20.7 m-20 -70.4 -43.76 69.36 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.742 0.782 . . . . 0.0 108.9 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.957 HD11 HD12 ' B' ' 100' ' ' LEU . 5.5 mt -60.05 -49.36 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.643 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.648 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.2 m -56.37 -36.77 69.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.165 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.755 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -57.37 -51.42 69.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.245 179.136 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.866 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.1 mt -61.24 -42.54 98.79 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' B' ' 110' ' ' SER . 5.4 mt -56.57 -48.63 76.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.501 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.404 ' HA ' ' CG ' ' B' ' 117' ' ' GLN . 33.3 mt-30 -60.76 -46.39 90.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.567 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.764 ' CD2' HG21 ' C' ' 12' ' ' VAL . 5.6 mp -57.65 -42.3 83.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.412 0.625 . . . . 0.0 109.719 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.965 HG13 HG12 ' B' ' 86' ' ' ILE . 63.4 t -64.76 -53.54 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.903 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 113' ' ' LEU . 0.0 OUTLIER -63.61 -18.45 63.92 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.093 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.412 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 1.4 m-20 -53.13 146.02 12.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.612 0.244 . . . . 0.0 110.742 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.22 -59.4 2.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.56 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -45.67 90.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.773 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.482 ' CG ' ' O ' ' B' ' 115' ' ' LEU . 10.0 t80 -55.87 -55.28 34.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.546 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.92 -39.34 39.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.677 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -59.46 -47.25 86.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.722 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.885 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.11 -41.26 83.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.596 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 3.7 t80 -68.2 -38.84 82.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.224 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -33.48 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.646 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 1.031 HD11 HD11 ' D' ' 127' ' ' ILE . 5.6 mt -71.78 -49.94 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.748 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.64 ' O ' ' HB ' ' B' ' 132' ' ' THR . 13.8 t-80 -64.27 -49.94 69.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.564 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.97 ' O ' HG23 ' B' ' 133' ' ' VAL . 50.2 t-20 -55.6 -59.96 4.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.945 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -52.12 67.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.648 0.261 . . . . 0.0 111.689 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.707 HD12 HG22 ' B' ' 127' ' ' ILE . 72.4 mt -58.62 -43.1 86.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.286 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.904 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.5 OUTLIER -60.77 -44.09 97.2 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.293 0.568 . . . . 0.0 109.657 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.97 HG23 ' O ' ' B' ' 129' ' ' ASN . 86.1 t -52.91 -51.17 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.124 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -63.81 -30.65 71.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.027 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . 0.414 ' HG3' ' CG ' ' A' ' 61' ' ' LYS . 31.1 ttm -54.07 -52.39 61.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -85.46 -30.16 23.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -74.98 -67.4 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 66.4 105.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.832 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' C' ' 7' ' ' ALA . 4.7 t30 . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.497 0.189 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' C' ' 4' ' ' ASN . 31.6 Cg_exo -58.03 -56.68 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.442 2.095 . . . . 0.0 112.249 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.98 -30.2 23.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.376 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' C' ' 4' ' ' ASN . . . -61.31 -40.67 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.861 ' O ' HG23 ' C' ' 12' ' ' VAL . 5.8 mm-40 -68.08 -51.19 49.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.4 OUTLIER -53.99 -41.44 67.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.736 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.2 tpt -61.19 -51.32 69.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.43 ' O ' HG23 ' C' ' 15' ' ' VAL . 21.4 tp60 -59.9 -36.37 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.462 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.861 HG23 ' O ' ' C' ' 8' ' ' GLU . 84.4 t -57.85 -48.97 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.908 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.927 ' HA ' HD12 ' C' ' 16' ' ' LEU . 16.8 mt -57.74 -48.75 78.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.029 0.442 . . . . 0.0 110.194 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -65.64 -28.33 69.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.641 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.765 HG13 ' HB3' ' B' ' 108' ' ' ASP . 2.5 t -72.9 -37.87 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.067 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.927 HD12 ' HA ' ' C' ' 13' ' ' LEU . 5.8 mt -64.23 -42.85 96.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.163 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.05 -37.49 75.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.549 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -68.29 -50.01 56.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.695 HD12 HD11 ' B' ' 112' ' ' LEU . 55.7 mt -56.72 -57.76 11.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.095 0.474 . . . . 0.0 110.759 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.803 ' HB3' HD12 ' C' ' 35' ' ' LEU . 4.0 ppt_? -54.93 -33.55 62.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.806 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' C' ' 20' ' ' ARG . . . -63.57 -45.74 93.97 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.333 -0.937 . . . . 0.0 111.796 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.627 ' HB3' HD22 ' B' ' 100' ' ' LEU . 4.0 mttm -61.77 -36.39 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.679 0.276 . . . . 0.0 110.726 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.797 HD21 HG23 ' B' ' 96' ' ' ILE . 11.0 mt -67.28 -50.18 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 110.482 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.47 -29.11 58.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.115 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -82.1 -31.41 30.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.416 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -80.72 -33.12 35.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.46 2.65 8.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.671 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . 0.575 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 6.2 m-20 -108.26 70.83 0.77 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.941 0.401 . . . . 0.0 110.367 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -89.74 11.71 19.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.126 0.489 . . . . 0.0 110.388 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 16.5 m -73.14 -33.56 65.58 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.969 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.471 ' HG3' ' CD2' ' B' ' 95' ' ' HIS . 1.2 mm-40 -83.3 -23.24 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.462 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.07 -48.82 22.38 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.491 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -56.78 -32.76 65.98 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.788 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -72.82 -47.47 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.718 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.803 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.8 mt -60.68 -29.99 69.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.255 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -77.05 -38.54 52.46 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.767 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.787 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -67.24 -42.51 83.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.925 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.473 ' HD2' HD21 ' C' ' 16' ' ' LEU . 2.4 t80 -70.85 -42.12 70.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.178 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.799 ' HA ' HD13 ' C' ' 16' ' ' LEU . 15.8 t80 -65.5 -51.81 57.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.292 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.77 -45.02 86.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.131 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.96 HG22 ' CD2' ' C' ' 47' ' ' PHE . 85.2 m -57.99 -47.62 82.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.759 0.314 . . . . 0.0 110.676 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.663 ' HB3' HD21 ' C' ' 13' ' ' LEU . 6.1 mt -58.33 -32.95 68.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.08 0.467 . . . . 0.0 110.485 179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.686 ' HG3' HD13 ' C' ' 13' ' ' LEU . 12.3 mtpt -79.5 -35.6 39.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.563 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -45.67 139.52 4.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.308 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.55 -41.34 8.75 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.453 2.102 . . . . 0.0 112.087 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.726 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -60.75 -55.17 36.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.102 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.96 ' CD2' HG22 ' C' ' 41' ' ' THR . 10.2 t80 -58.57 -42.83 88.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.19 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -55.83 -38.32 69.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.434 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.18 -41.89 99.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.123 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.8 HG12 HD21 ' A' ' 53' ' ' LEU . 5.0 mt -60.22 -48.73 86.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.874 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.635 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -61.27 -36.58 80.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.315 179.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 30.5 m -59.59 -42.58 92.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.428 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.881 HD21 HG12 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -60.45 -51.9 67.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.399 179.598 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.725 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 3.5 pt20 -62.13 -31.0 71.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -59.65 -40.92 89.3 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -47.56 82.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.503 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.944 HG21 HG21 ' D' ' 131' ' ' ILE . 34.5 mt -60.47 -34.89 59.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.9 178.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -59.84 -41.76 92.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.859 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -40.92 97.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.983 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.2 mt -55.58 -45.9 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.414 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.805 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.97 -55.3 27.47 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.647 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -57.8 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.943 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.438 HD12 ' O ' ' C' ' 60' ' ' LEU . 3.2 mp -68.59 84.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.956 0.408 . . . . 0.0 111.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . 0.406 HG23 ' N ' ' D' ' 82' ' ' LYS . 12.7 m -137.31 -44.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.355 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . 0.406 ' N ' HG23 ' D' ' 81' ' ' VAL . 0.3 OUTLIER 55.76 112.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.384 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.816 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.6 OUTLIER -83.44 178.43 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.943 0.401 . . . . 0.0 110.623 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 1.108 HD13 ' HB3' ' A' ' 37' ' ' ALA . 58.9 tp -117.59 -38.37 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.327 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.96 102.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.109 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.89 HG12 HG13 ' D' ' 116' ' ' VAL . 0.6 OUTLIER -49.52 -25.87 2.11 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.523 -179.155 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.05 -46.3 88.17 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.337 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.43 -34.96 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.046 0.45 . . . . 0.0 109.853 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.716 ' O ' HD12 ' D' ' 89' ' ' LEU . 0.1 OUTLIER -72.12 -29.25 63.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.27 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.548 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 9.1 t80 -72.38 -50.27 27.84 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.122 0.487 . . . . 0.0 109.745 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 68.4 m -62.95 -28.06 69.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.431 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . 0.415 ' OG ' HD11 ' D' ' 96' ' ' ILE . 4.1 t -64.03 -52.97 56.95 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.386 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.765 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.8 OUTLIER -56.87 -37.62 71.59 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -59.43 -40.55 87.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.692 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . 0.419 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 1.5 t60 -69.68 -53.28 19.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.718 HG23 HD21 ' A' ' 23' ' ' LEU . 10.3 mt -51.87 -38.48 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.885 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.921 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.52 -51.53 67.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.935 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -81.63 -2.95 52.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.446 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . 0.427 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.9 m -99.09 -32.21 11.37 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.443 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.681 HD12 HD22 ' A' ' 19' ' ' LEU . 15.5 mt -89.95 -53.78 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.241 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.6 35.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.665 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' D' ' 104' ' ' GLN . 7.3 m-20 -96.99 23.51 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.722 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 31.8 t 65.97 -71.47 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.783 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' D' ' 102' ' ' ASP . 2.9 mm100 -60.63 -30.77 70.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.144 0.497 . . . . 0.0 109.91 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.82 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.5 OUTLIER -70.73 -39.87 73.1 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.554 179.529 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.82 -38.33 90.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.003 0.43 . . . . 0.0 110.519 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.69 -39.8 80.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.796 ' CG ' HG22 ' A' ' 15' ' ' VAL . 28.8 m-20 -70.49 -42.95 70.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.921 HD13 ' HA ' ' D' ' 97' ' ' GLN . 4.7 mt -59.95 -49.63 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.645 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.629 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.0 OUTLIER -57.24 -35.16 69.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.082 179.439 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.62 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.76 -51.35 69.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.032 178.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.838 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.3 mt -63.21 -42.67 99.32 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' D' ' 110' ' ' SER . 6.0 mt -56.15 -42.33 76.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.621 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -62.25 -52.21 64.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.785 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.9 mp -58.98 -48.71 80.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.246 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.89 HG13 HG12 ' D' ' 86' ' ' ILE . 62.7 t -57.12 -41.42 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.531 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.452 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 55.3 mt-30 -82.93 -11.04 58.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.5 128.38 36.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.735 0.303 . . . . 0.0 110.482 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -52.31 -58.99 4.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.499 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.71 -50.32 73.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 111.055 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.6 t80 -55.81 -52.77 62.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -54.65 -31.25 57.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.066 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.611 ' O ' HG13 ' D' ' 127' ' ' ILE . 22.5 m120 -67.55 -52.43 38.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.603 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -58.19 -49.24 77.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.643 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 4.6 t80 -56.18 -40.41 73.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -34.19 76.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.207 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 1.031 HD11 HD11 ' B' ' 127' ' ' ILE . 5.7 mt -63.21 -49.61 82.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.438 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.838 ' O ' ' HB ' ' D' ' 132' ' ' THR . 38.1 t-80 -65.36 -41.25 94.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.015 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.946 ' O ' HG23 ' D' ' 133' ' ' VAL . 27.2 m-20 -55.05 -60.73 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.21 -51.91 58.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.539 0.209 . . . . 0.0 111.506 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.944 HG21 HG21 ' C' ' 57' ' ' ILE . 69.5 mt -56.19 -40.12 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.16 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.838 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.5 OUTLIER -61.46 -43.1 99.46 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.837 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.946 HG23 ' O ' ' D' ' 129' ' ' ASN . 47.0 t -52.88 -47.72 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.463 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -63.1 -32.87 74.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.034 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -42.54 99.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.603 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -67.48 -38.87 85.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -59.25 3.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 63.24 129.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.262 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.645 0.259 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.71 -24.65 61.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.585 2.19 . . . . 0.0 112.344 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.98 -30.37 65.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.85 -37.62 71.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.9 mt-10 -61.21 -57.07 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.721 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -61.49 -42.86 99.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.544 179.675 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.56 -41.52 97.51 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.558 ' NE2' HG23 ' A' ' 15' ' ' VAL . 31.0 tp60 -67.21 -35.67 80.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.748 HG22 HD23 ' D' ' 111' ' ' LEU . 24.5 t -60.17 -47.89 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.438 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.759 ' HA ' HD12 ' A' ' 16' ' ' LEU . 13.5 mt -62.69 -44.63 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.444 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -63.71 -29.4 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.239 178.142 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.783 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.4 t -71.64 -35.81 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.293 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 13' ' ' LEU . 27.0 mt -64.13 -40.43 96.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.056 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.444 ' OD2' ' HA ' ' A' ' 14' ' ' GLN . 5.7 p30 -76.29 -28.05 56.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.43 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -73.84 -54.66 7.49 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.987 0.422 . . . . 0.0 110.418 179.634 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.532 HD12 HD11 ' D' ' 112' ' ' LEU . 89.5 mt -56.59 -49.27 75.4 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.672 ' HB2' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -51.02 -48.33 61.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.836 179.272 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.29 -44.94 65.31 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.876 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.773 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.3 OUTLIER -63.38 -36.3 83.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.511 0.196 . . . . 0.0 111.173 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.802 HD23 HD21 ' D' ' 100' ' ' LEU . 31.4 mt -65.66 -50.5 64.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.014 0.435 . . . . 0.0 110.581 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -60.05 -26.88 66.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.22 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -82.59 -32.9 28.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.64 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.12 -32.14 30.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.398 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.82 19.24 5.34 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 120.571 -0.824 . . . . 0.0 112.627 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -110.07 77.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.019 0.438 . . . . 0.0 109.953 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.25 9.03 30.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.307 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.422 HG22 ' NE2' ' A' ' 31' ' ' GLN . 57.3 m -82.51 -54.72 4.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.31 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.423 ' HG2' ' CD2' ' D' ' 95' ' ' HIS . 1.2 mp0 -63.81 -18.93 64.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.034 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -46.66 -46.49 19.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.73 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.55 -36.0 68.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.146 0.498 . . . . 0.0 109.721 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HD3' ' HB2' ' D' ' 92' ' ' SER . 0.4 OUTLIER -61.25 -44.38 97.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.688 178.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.672 HD12 ' HB2' ' A' ' 20' ' ' ARG . 2.5 mt -70.78 -34.81 72.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.733 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -72.13 -34.96 68.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.124 0.487 . . . . 0.0 109.937 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.008 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -74.98 -40.76 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.219 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.717 ' HD2' HD21 ' A' ' 16' ' ' LEU . 2.4 t80 -70.54 -51.09 31.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.357 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.601 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -54.91 -51.1 67.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.286 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.54 -52.31 65.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.238 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.892 HG22 ' CD2' ' A' ' 47' ' ' PHE . 95.1 m -59.05 -48.53 81.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.52 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.576 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -54.66 -34.21 61.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.893 179.484 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' HG3' HD13 ' A' ' 13' ' ' LEU . 12.3 mtpt -77.78 -34.81 52.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.611 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.07 134.46 6.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.327 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.72 -40.4 9.99 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.492 2.128 . . . . 0.0 112.203 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.714 HD11 HD13 ' C' ' 57' ' ' ILE . 0.5 OUTLIER -59.61 -55.04 39.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.352 179.701 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.892 ' CD2' HG22 ' A' ' 41' ' ' THR . 12.3 t80 -58.09 -40.58 81.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.389 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -57.6 -41.16 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.495 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.19 -42.44 98.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.267 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.889 HG12 HD21 ' C' ' 53' ' ' LEU . 22.3 mt -56.78 -46.09 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.868 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.629 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.03 -36.19 83.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.235 179.679 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.8 m -53.92 -50.82 65.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.988 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.885 HD21 HG12 ' C' ' 50' ' ' ILE . 1.0 OUTLIER -59.4 -44.87 92.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.788 178.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.593 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.1 OUTLIER -59.95 -34.29 73.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.169 179.169 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -40.54 97.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.097 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 t -60.71 -45.84 92.68 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.673 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.93 HG21 HG21 ' B' ' 131' ' ' ILE . 5.7 mt -62.09 -34.78 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.887 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -42.82 84.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.78 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.58 -39.63 94.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.251 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.5 mt -53.01 -47.26 68.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.662 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -63.06 -49.93 72.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.853 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.17 -31.46 79.08 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.592 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -80.06 -42.39 23.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 60' ' ' LEU . 1.1 mt -88.93 53.67 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.8 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.774 ' HB3' ' CG ' ' B' ' 136' ' ' ASN . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.841 0.353 . . . . 0.0 111.423 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.532 HG23 HG23 ' B' ' 132' ' ' THR . 16.3 m 41.92 74.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.487 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.96 156.77 16.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.255 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.884 HG23 HG21 ' B' ' 132' ' ' THR . 0.0 OUTLIER -109.17 -103.21 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 119.601 -0.238 . . . . 0.0 111.25 -179.744 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.846 ' CD2' HD22 ' B' ' 89' ' ' LEU . 11.0 tp 159.49 -41.84 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.737 0.303 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.46 112.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.383 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.821 HG12 HG13 ' B' ' 116' ' ' VAL . 1.1 mt -57.22 -29.53 32.64 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.765 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.91 -47.69 83.81 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.246 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -35.87 57.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.952 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.846 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.98 -28.6 63.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.563 179.564 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.543 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.42 -50.02 29.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -63.17 -28.47 70.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.517 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . 0.444 ' C ' HD12 ' B' ' 96' ' ' ILE . 57.7 m -64.36 -51.33 63.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.748 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.736 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.7 OUTLIER -59.29 -38.35 79.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.498 ' HE2' HD22 ' B' ' 113' ' ' LEU . 36.9 mmtt -59.78 -38.54 82.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.288 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.461 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.0 OUTLIER -72.04 -49.54 35.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.312 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.768 HG23 HD21 ' C' ' 23' ' ' LEU . 12.0 mt -53.64 -44.1 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.735 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.894 ' HB3' HG21 ' B' ' 109' ' ' ILE . 3.5 pt20 -62.2 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.746 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -85.38 -0.8 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.554 179.129 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.3 m -102.2 -34.2 9.35 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 1.005 HD12 HD11 ' B' ' 109' ' ' ILE . 76.8 mt -82.8 -50.18 8.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.457 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 100' ' ' LEU . 0.0 OUTLIER 45.06 52.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.232 179.373 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.5 OUTLIER -120.47 20.87 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.119 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 73.4 m 63.17 -75.7 0.03 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.821 0.343 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -54.86 -29.25 54.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.176 0.512 . . . . 0.0 109.958 179.198 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.875 ' O ' HD12 ' B' ' 109' ' ' ILE . 2.4 m -67.7 -43.27 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.212 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.17 -35.7 75.92 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.119 0.485 . . . . 0.0 110.487 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.66 -42.55 77.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.242 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.796 ' HB3' HG13 ' C' ' 15' ' ' VAL . 18.8 m-20 -70.44 -44.89 66.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.732 0.777 . . . . 0.0 108.97 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 1.005 HD11 HD12 ' B' ' 100' ' ' LEU . 3.9 mt -58.44 -48.86 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.393 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.633 ' HA ' HD12 ' B' ' 113' ' ' LEU . 66.6 m -57.14 -34.84 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.149 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.867 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.88 -51.39 69.27 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.847 178.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.861 HD22 HG13 ' C' ' 12' ' ' VAL . 1.4 mt -63.08 -42.27 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.362 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.638 ' CD1' HG22 ' B' ' 109' ' ' ILE . 6.2 mt -56.82 -40.53 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.7 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.4 ' NE2' ' HB3' ' B' ' 110' ' ' SER . 1.4 mt-30 -61.68 -52.34 64.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.558 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.746 ' CD2' HG21 ' C' ' 12' ' ' VAL . 0.9 OUTLIER -60.11 -49.56 77.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.19 179.4 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.853 HG23 ' O ' ' B' ' 112' ' ' LEU . 48.8 t -58.4 -37.28 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.547 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.421 ' NE2' ' CE1' ' B' ' 90' ' ' PHE . 74.4 mt-30 -87.75 -8.57 55.85 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.4 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 1.3 m-20 -61.21 150.67 33.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.717 0.294 . . . . 0.0 110.374 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -72.08 -58.94 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.513 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.78 -46.31 90.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.0 t80 -55.94 -49.92 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.589 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 8.1 mt-30 -54.28 -44.29 71.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.434 ' HB3' HG12 ' D' ' 127' ' ' ILE . 5.9 m120 -59.51 -47.36 85.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.924 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.17 -40.27 81.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.741 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.492 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 4.6 t80 -66.07 -38.49 88.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.828 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 18.0 mmtt -61.77 -37.09 83.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.317 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 1.041 HD11 HD11 ' D' ' 127' ' ' ILE . 10.4 mt -64.68 -49.87 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.272 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.726 ' O ' ' HB ' ' B' ' 132' ' ' THR . 20.6 t-80 -67.11 -27.76 67.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.717 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.866 ' O ' HG23 ' B' ' 133' ' ' VAL . 3.8 t30 -66.23 -60.62 2.61 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . 0.656 ' HB1' ' HE3' ' D' ' 119' ' ' LYS . . . -67.53 -49.93 61.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.93 HG21 HG21 ' A' ' 57' ' ' ILE . 51.3 mt -53.94 -48.35 63.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 121.199 -0.2 . . . . 0.0 111.156 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.884 HG21 HG23 ' B' ' 83' ' ' ILE . 0.8 OUTLIER -56.87 -53.94 52.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.385 0.612 . . . . 0.0 109.768 179.072 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.866 HG23 ' O ' ' B' ' 129' ' ' ASN . 59.0 t -53.26 -45.18 55.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.617 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -33.76 76.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.969 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.9 ttm -66.22 -38.25 87.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.515 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . 0.774 ' CG ' ' HB3' ' B' ' 80' ' ' ALA . 44.7 t-20 -78.54 -35.67 45.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -67.47 0.45 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -86.67 154.3 21.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.865 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.657 0.265 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.01 -27.76 57.84 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.529 2.152 . . . . 0.0 112.354 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.76 -31.94 71.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.67 71.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.05 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.789 ' O ' HG23 ' C' ' 12' ' ' VAL . 1.4 mt-10 -68.09 -57.7 5.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -51.95 -41.67 62.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.939 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . 0.403 ' CE ' HD12 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -61.44 -51.7 67.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.445 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.465 ' NE2' HG23 ' C' ' 15' ' ' VAL . 25.7 tp60 -59.53 -36.01 75.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.484 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.867 HG22 HD23 ' B' ' 111' ' ' LEU . 70.2 t -58.38 -45.24 89.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.554 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.758 ' HA ' HD12 ' C' ' 16' ' ' LEU . 12.8 mt -59.46 -49.66 76.95 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.894 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -63.32 -28.46 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.54 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.796 HG13 ' HB3' ' B' ' 108' ' ' ASP . 2.9 t -73.01 -38.25 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.926 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' C' ' 13' ' ' LEU . 9.8 mt -64.12 -39.12 93.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.899 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -71.42 -39.36 71.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.708 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -67.25 -54.24 22.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.818 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.588 HD12 HD11 ' B' ' 112' ' ' LEU . 73.3 mt -53.29 -57.45 10.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.689 ' CB ' HD12 ' C' ' 35' ' ' LEU . 0.9 OUTLIER -52.11 -37.26 53.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.848 179.711 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.73 -46.67 93.09 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.276 -0.964 . . . . 0.0 111.878 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.7 ' HB3' HD22 ' B' ' 100' ' ' LEU . 3.4 mttm -65.45 -32.57 74.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.81 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.768 HD21 HG23 ' B' ' 96' ' ' ILE . 47.7 mt -66.96 -50.18 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.367 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.522 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -61.59 -26.73 68.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.03 178.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.6 -33.1 28.09 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.63 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.72 -31.28 41.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.406 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.82 23.94 4.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.436 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -119.16 82.95 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.94 0.4 . . . . 0.0 110.167 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.522 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -94.57 18.45 11.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.127 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . 0.431 HG22 HE21 ' C' ' 31' ' ' GLN . 15.5 m -84.6 -38.68 19.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.556 ' HB3' HD11 ' B' ' 96' ' ' ILE . 0.7 OUTLIER -87.51 -16.66 34.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.622 179.523 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . 0.418 ' OD1' ' HD3' ' C' ' 20' ' ' ARG . 1.5 m-80 -47.87 -53.24 16.31 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -32.91 65.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.442 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -66.08 -40.03 90.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.982 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.689 HD12 ' CB ' ' C' ' 20' ' ' ARG . 2.3 mt -70.26 -38.47 75.13 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.432 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -70.47 -33.53 71.37 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' B' ' 84' ' ' LEU . . . -72.37 -45.83 58.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.162 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.709 ' HD2' HD21 ' C' ' 16' ' ' LEU . 4.6 t80 -68.14 -42.89 79.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.273 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.708 ' HA ' HD13 ' C' ' 16' ' ' LEU . 0.7 OUTLIER -56.82 -53.48 57.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.993 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.32 -46.46 86.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.282 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.451 ' CG2' ' CD1' ' C' ' 47' ' ' PHE . 93.3 m -56.59 -37.83 71.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.052 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.529 ' CD1' HD11 ' C' ' 16' ' ' LEU . 9.0 mt -74.31 -27.49 60.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.717 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.495 ' HG3' HD13 ' C' ' 13' ' ' LEU . 5.5 mtpt -81.57 -36.94 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.63 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -47.64 135.5 10.33 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.325 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.27 -37.15 25.33 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.402 2.068 . . . . 0.0 111.944 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.716 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -61.98 -50.27 72.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.077 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.697 ' CE2' HD21 ' C' ' 51' ' ' LEU . 25.5 t80 -57.5 -45.92 84.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.616 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -55.6 -38.28 69.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.03 -42.27 99.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.296 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.885 HG12 HD21 ' A' ' 53' ' ' LEU . 28.9 mt -59.97 -47.33 92.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.951 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.697 HD21 ' CE2' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.72 -35.79 80.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.401 179.762 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 94.5 m -54.03 -50.83 65.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.125 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.889 HD21 HG12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -60.81 -45.68 93.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.832 179.016 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.544 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -59.68 -34.63 73.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.189 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.23 -39.4 93.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.08 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 7.8 t -60.92 -45.25 95.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.826 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.781 HG21 HG21 ' D' ' 131' ' ' ILE . 6.0 mt -60.32 -34.95 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.103 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -41.85 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.816 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.64 -39.72 92.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.083 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -55.67 -53.14 60.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.661 179.421 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.649 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 4.6 mtpt -59.45 -34.14 72.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.98 4.68 63.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.66 -0.781 . . . . 0.0 113.132 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -134.75 9.62 3.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.956 0.378 . . . . 0.0 111.628 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.58 151.19 47.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.855 0.36 . . . . 0.0 110.755 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 25.5 p . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.023 -179.863 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.89 0.376 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 11.3 m 42.34 68.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.924 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.3 154.39 19.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.604 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.672 ' N ' HD13 ' D' ' 83' ' ' ILE . 0.4 OUTLIER -90.72 -168.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.939 0.399 . . . . 0.0 110.973 -179.754 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 1.008 HD13 ' HB3' ' A' ' 37' ' ' ALA . 25.0 tp -154.77 -36.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.142 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.47 105.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.628 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.778 HG12 HG13 ' D' ' 116' ' ' VAL . 0.6 OUTLIER -49.66 -25.59 2.13 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.528 -179.532 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.17 -47.0 84.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.424 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.87 -34.96 57.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.974 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.679 HD11 HG21 ' D' ' 116' ' ' VAL . 0.1 OUTLIER -72.56 -30.57 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.543 179.383 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.504 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 12.6 t80 -71.97 -47.07 54.85 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.669 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -32.04 73.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.346 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . 0.476 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 2.3 t -61.72 -52.2 65.24 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.847 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.702 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.5 OUTLIER -59.5 -35.3 73.87 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 120.972 0.415 . . . . 0.0 109.969 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . 0.49 ' NZ ' HD22 ' D' ' 113' ' ' LEU . 4.9 mptt -59.38 -43.16 92.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.656 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . 0.423 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 1.4 t60 -67.39 -53.13 31.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.741 HG23 HD21 ' A' ' 23' ' ' LEU . 11.5 mt -50.88 -41.53 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.043 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.732 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.1 OUTLIER -60.65 -51.26 70.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.052 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -0.75 45.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.535 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . 0.421 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.4 m -101.13 -32.8 10.39 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.709 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 1.017 HD12 HD11 ' D' ' 109' ' ' ILE . 45.1 mt -88.27 -54.77 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.04 39.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.694 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.3 OUTLIER -101.31 22.3 12.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.783 179.604 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 47.7 m 65.28 -72.36 0.07 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.703 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -60.27 -31.13 69.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.151 0.5 . . . . 0.0 109.802 179.217 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.821 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.8 OUTLIER -70.08 -39.76 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.583 179.468 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.19 -37.09 85.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.062 0.458 . . . . 0.0 110.337 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.54 -41.33 79.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.737 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.754 ' CG ' HG22 ' A' ' 15' ' ' VAL . 25.1 m-20 -70.56 -43.14 70.11 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 1.017 HD11 HD12 ' D' ' 100' ' ' LEU . 4.6 mt -59.09 -49.58 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.446 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.618 ' HA ' HD12 ' D' ' 113' ' ' LEU . 45.1 t -57.7 -33.61 68.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.853 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.748 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.93 -51.09 70.52 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.824 178.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.86 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.7 mt -63.54 -43.04 98.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.378 178.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.619 ' CD1' HG22 ' D' ' 109' ' ' ILE . 5.4 mt -56.99 -41.13 77.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.754 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.81 -51.22 69.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.986 0.422 . . . . 0.0 110.52 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.626 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.4 mp -59.92 -50.05 75.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.936 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.86 HG23 ' O ' ' D' ' 112' ' ' LEU . 47.8 t -58.3 -41.33 80.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.363 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -83.75 -6.95 59.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.857 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -65.24 136.52 56.72 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.872 0.368 . . . . 0.0 110.449 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . 0.656 ' HE3' ' HB1' ' B' ' 130' ' ' ALA . 0.9 OUTLIER -58.02 -58.34 8.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.433 -179.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' D' ' 120' ' ' ASP . 1.1 m-20 -60.72 -50.3 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.113 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.453 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 7.7 t80 -55.72 -43.31 76.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.65 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 5.5 mt-30 -57.72 -46.63 84.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.033 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.428 ' HB3' HG12 ' B' ' 127' ' ' ILE . 17.2 m-20 -59.87 -46.07 90.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.912 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.8 -48.37 78.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.467 ' HB3' ' CD1' ' D' ' 86' ' ' ILE . 2.7 t80 -60.09 -36.7 77.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 22.6 mmtt -64.17 -36.35 83.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.651 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 1.041 HD11 HD11 ' B' ' 127' ' ' ILE . 10.0 mt -65.44 -49.75 76.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.119 0.485 . . . . 0.0 110.647 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.682 ' O ' ' HB ' ' D' ' 132' ' ' THR . 8.8 t-80 -67.3 -32.51 73.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.965 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.916 ' O ' HG23 ' D' ' 133' ' ' VAL . 17.0 m-20 -63.89 -60.8 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.9 -52.1 47.29 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.781 HG21 HG21 ' C' ' 57' ' ' ILE . 53.5 mt -53.54 -36.51 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.691 0.281 . . . . 0.0 110.548 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.682 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -63.18 -50.11 71.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.532 0.682 . . . . 0.0 109.167 178.287 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.916 HG23 ' O ' ' D' ' 129' ' ' ASN . 16.7 t -52.82 -51.2 38.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.801 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -30.89 71.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.243 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . 0.415 ' HG3' ' HG3' ' C' ' 61' ' ' LYS . 28.4 ttm -57.5 -61.98 2.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.929 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -66.58 -28.64 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -59.08 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 58.94 101.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.201 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.721 ' OD1' ' HB2' ' A' ' 7' ' ' ALA . 5.0 t-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.726 0.298 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.76 -47.98 4.57 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.689 2.259 . . . . 0.0 112.134 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.89 -30.46 46.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.273 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.721 ' HB2' ' OD1' ' A' ' 4' ' ' ASN . . . -59.33 -33.83 71.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.052 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.782 ' O ' HG23 ' A' ' 12' ' ' VAL . 20.3 mt-10 -67.82 -57.57 6.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HG2' HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -57.26 -43.38 83.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.74 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.42 -47.05 87.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.007 0.432 . . . . 0.0 110.004 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' NE2' HG23 ' A' ' 15' ' ' VAL . 28.1 tp60 -64.41 -34.71 78.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.507 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 8' ' ' GLU . 43.9 t -59.68 -49.02 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.56 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.594 ' HA ' HD12 ' A' ' 16' ' ' LEU . 13.1 mt -59.43 -42.85 92.83 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -28.49 68.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.397 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.757 HG22 ' CG ' ' D' ' 108' ' ' ASP . 3.5 t -74.12 -38.05 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.7 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.631 HD21 ' HD2' ' A' ' 38' ' ' PHE . 40.6 mt -64.17 -37.99 89.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -70.88 -45.58 64.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -61.2 -54.24 46.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.05 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.552 HD12 HD11 ' D' ' 112' ' ' LEU . 85.4 mt -53.39 -57.28 11.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.932 0.396 . . . . 0.0 110.47 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.66 ' HB2' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -49.9 -34.97 21.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.203 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.1 -48.28 76.87 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.13 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.747 ' HB3' HD22 ' D' ' 100' ' ' LEU . 1.9 mttp -60.15 -36.05 76.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.583 0.23 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.756 HD23 HD21 ' D' ' 100' ' ' LEU . 20.0 mt -64.59 -50.11 68.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.966 0.412 . . . . 0.0 110.498 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.5 -28.31 65.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.201 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -82.43 -32.49 28.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -83.15 -30.6 27.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.333 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.8 22.67 5.28 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.525 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 20.2 m-20 -113.11 78.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.987 0.422 . . . . 0.0 110.045 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.92 15.98 13.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.3 m -85.24 -40.51 16.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.426 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.512 ' HG3' ' CD2' ' D' ' 95' ' ' HIS . 0.7 OUTLIER -81.64 -24.52 36.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.424 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -48.36 -43.54 33.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.759 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.69 -32.97 69.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.084 0.468 . . . . 0.0 109.919 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HA ' ' CD1' ' D' ' 84' ' ' LEU . 25.5 mmmt -72.05 -39.48 69.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.256 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 20' ' ' ARG . 2.0 mt -68.37 -31.26 70.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.508 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.32 -34.57 63.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.139 0.495 . . . . 0.0 109.845 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.054 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -75.19 -49.05 20.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.52 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.631 ' HD2' HD21 ' A' ' 16' ' ' LEU . 2.5 t80 -61.11 -46.5 90.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.135 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.517 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 1.3 t80 -57.39 -53.45 57.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.932 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.82 -52.3 64.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.172 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.8 m -55.89 -32.77 64.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.922 0.392 . . . . 0.0 110.601 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.498 HD22 ' HG2' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -68.21 -37.22 80.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.115 179.237 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -77.58 -30.72 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.529 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.415 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 53.8 m -39.53 127.47 1.43 Allowed Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.633 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 31.7 Cg_exo -58.26 -55.71 2.04 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.547 2.165 . . . . 0.0 112.358 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.759 HD11 HD11 ' C' ' 57' ' ' ILE . 1.3 tp -58.05 -46.15 85.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.418 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.582 ' CE2' HD11 ' A' ' 51' ' ' LEU . 46.1 t80 -58.99 -47.63 84.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.388 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -55.92 -33.2 64.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -65.94 -41.92 90.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.236 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.755 HG12 HD21 ' C' ' 53' ' ' LEU . 2.4 mt -59.58 -47.86 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.395 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.61 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -65.2 -37.68 88.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.119 179.381 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -53.65 -48.29 69.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.91 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.801 HD21 HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -58.81 -45.0 90.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.423 178.607 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.584 HE21 ' HB2' ' D' ' 124' ' ' ALA . 4.1 mm-40 -60.53 -35.62 76.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.123 179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -59.75 -42.34 93.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.076 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -46.34 90.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.806 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.811 HG21 HG21 ' B' ' 131' ' ' ILE . 14.0 mt -61.84 -34.77 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.04 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -39.72 86.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.775 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -40.58 95.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.106 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -52.84 -54.53 33.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.589 179.404 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.436 ' HD2' HG22 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -59.59 -38.89 82.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.882 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.04 -27.01 67.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.592 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -71.37 -38.63 71.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.733 0.302 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mt -74.16 94.87 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.764 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.697 0.284 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 15.1 m 41.94 64.52 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.783 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.03 133.63 39.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.743 HD11 HG22 ' B' ' 133' ' ' VAL . 0.2 OUTLIER -93.67 -172.77 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.031 0.443 . . . . 0.0 111.304 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.836 HD13 ' HB3' ' C' ' 37' ' ' ALA . 0.7 OUTLIER -177.55 62.01 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.298 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -37.72 122.72 0.98 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.737 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.893 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -49.65 -24.84 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.88 -179.056 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.08 -48.26 81.0 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.656 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.5 -33.98 54.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.078 0.466 . . . . 0.0 109.995 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.7 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.15 -29.92 64.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.375 179.439 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 14.5 t80 -72.55 -50.3 26.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.044 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 2.1 m -61.78 -29.52 70.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.555 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 55.7 m -63.07 -53.2 57.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.447 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.7 OUTLIER -57.18 -36.57 70.98 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -59.6 -40.98 89.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.843 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.434 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 0.6 OUTLIER -69.33 -49.57 54.54 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.338 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.696 HG23 HD21 ' C' ' 23' ' ' LEU . 13.3 mt -52.39 -45.19 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.101 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.93 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -58.97 -49.67 76.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 179.508 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.2 m170 -80.59 -3.75 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.493 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . 0.42 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.4 m -97.08 -33.3 11.57 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.454 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.816 HD12 HD11 ' B' ' 109' ' ' ILE . 35.1 mt -87.21 -48.54 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.122 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.15 41.13 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.608 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.4 OUTLIER -105.71 19.92 19.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.848 179.6 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.3 -72.86 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.726 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -58.53 -27.44 64.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.094 0.473 . . . . 0.0 109.907 179.288 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.868 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.5 OUTLIER -69.57 -44.35 71.02 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.078 179.259 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -32.88 72.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.048 0.451 . . . . 0.0 110.107 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.71 -42.47 73.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.798 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.776 ' HB3' HG13 ' C' ' 15' ' ' VAL . 1.7 m-20 -70.51 -43.46 69.59 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.93 HD13 ' HA ' ' B' ' 97' ' ' GLN . 4.0 mt -59.58 -48.65 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.315 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.605 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.2 m -56.11 -35.21 66.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.82 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.724 HD23 HG22 ' C' ' 12' ' ' VAL . 0.2 OUTLIER -56.71 -51.29 69.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.674 178.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.795 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.0 mt -63.06 -41.96 99.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.354 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.65 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.0 mt -57.96 -40.02 79.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.573 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -61.28 -52.04 66.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.671 HD21 HG21 ' C' ' 12' ' ' VAL . 0.9 OUTLIER -61.17 -48.08 83.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.414 0.626 . . . . 0.0 110.071 179.135 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.893 HG13 HG12 ' B' ' 86' ' ' ILE . 93.7 t -60.24 -36.41 68.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.539 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 42.2 mt-30 -88.06 -9.2 54.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 0.4 OUTLIER -58.14 150.7 20.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.687 0.279 . . . . 0.0 110.6 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -59.13 2.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.245 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -61.02 -46.54 90.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.59 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 8.3 t80 -55.94 -52.46 64.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.558 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -53.35 -38.76 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.798 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.534 ' O ' HG13 ' B' ' 127' ' ' ILE . 11.5 m120 -62.19 -51.93 65.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.755 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -56.93 -49.04 76.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.374 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.532 ' CD1' HD12 ' B' ' 86' ' ' ILE . 15.0 t80 -56.27 -42.0 76.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.463 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . 0.425 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 0.5 OUTLIER -63.23 -37.71 88.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.651 -179.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 1.073 HD11 HD11 ' D' ' 127' ' ' ILE . 45.0 mt -59.23 -50.01 81.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.431 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.79 ' O ' ' HB ' ' B' ' 132' ' ' THR . 25.0 t-80 -62.8 -34.76 77.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.325 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.881 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.6 OUTLIER -55.23 -60.76 2.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.612 -179.471 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.33 -48.54 61.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.695 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.811 HG21 HG21 ' A' ' 57' ' ' ILE . 43.9 mt -55.87 -42.05 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.106 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.79 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.6 OUTLIER -61.68 -50.12 73.74 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.881 HG23 ' O ' ' B' ' 129' ' ' ASN . 49.7 t -55.61 -42.62 69.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.645 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.19 -31.06 72.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.176 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.6 ttm -66.68 -48.36 69.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.718 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -61.74 -37.58 84.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -77.26 -72.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 59.0 77.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.882 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 31.3 t30 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.56 0.219 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.14 -28.59 56.44 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.469 2.113 . . . . 0.0 112.305 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.37 71.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.4 -41.33 76.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.722 ' O ' HG23 ' C' ' 12' ' ' VAL . 1.4 mm-40 -62.0 -56.93 14.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.761 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -57.95 -41.32 82.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.625 179.71 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -53.09 60.76 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.921 ' O ' HG23 ' C' ' 15' ' ' VAL . 23.0 tp60 -57.61 -38.8 75.56 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.724 HG22 HD23 ' B' ' 111' ' ' LEU . 37.8 t -54.91 -54.44 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.883 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.596 HD13 ' HG3' ' C' ' 43' ' ' LYS . 13.3 mt -55.07 -41.53 71.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.09 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -28.33 66.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.552 178.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.921 HG23 ' O ' ' C' ' 11' ' ' GLN . 79.1 t -72.65 -38.07 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.861 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.739 HD23 HD13 ' B' ' 112' ' ' LEU . 32.6 mt -64.33 -43.36 94.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.622 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -68.71 -44.47 73.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.98 -54.65 44.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.96 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.6 HD12 HD11 ' B' ' 112' ' ' LEU . 92.0 mt -52.98 -56.93 12.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.31 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.686 ' CB ' HD12 ' C' ' 35' ' ' LEU . 1.7 tmm_? -48.57 -38.39 20.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.034 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.69 -50.43 67.82 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.237 -0.982 . . . . 0.0 111.825 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.698 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.2 mttm -59.76 -34.56 73.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.721 0.296 . . . . 0.0 111.05 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.696 HD21 HG23 ' B' ' 96' ' ' ILE . 18.8 mt -68.15 -49.99 57.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 110.626 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.435 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.3 OUTLIER -57.47 -28.07 63.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.334 179.516 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -82.74 -37.44 24.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.18 0.514 . . . . 0.0 110.221 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -74.45 -30.29 61.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.274 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.13 23.16 5.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.367 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 11.0 m-20 -116.25 79.45 1.31 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.994 0.426 . . . . 0.0 110.178 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.435 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -90.39 8.37 33.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.27 179.675 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 95.8 m -74.47 -42.18 59.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.47 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.644 ' HB3' HD11 ' B' ' 96' ' ' ILE . 1.9 mm-40 -78.02 -24.92 47.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -44.4 -51.38 8.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.92 -32.64 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.395 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' B' ' 84' ' ' LEU . 2.0 mmmm -72.92 -39.73 66.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.686 HD12 ' CB ' ' C' ' 20' ' ' ARG . 2.0 mt -70.0 -30.69 68.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.786 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -31.35 55.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.969 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.836 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -77.44 -47.83 18.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.493 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.46 ' CA ' HD22 ' B' ' 84' ' ' LEU . 3.3 t80 -65.44 -36.63 84.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.338 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.477 ' HA ' HD13 ' C' ' 16' ' ' LEU . 61.0 t80 -67.3 -52.99 33.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.324 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -52.34 66.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.336 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.441 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 97.1 m -56.81 -39.36 74.01 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.846 0.355 . . . . 0.0 110.582 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.59 ' HB3' HD21 ' C' ' 13' ' ' LEU . 0.3 OUTLIER -60.76 -36.41 78.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.24 179.212 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.596 ' HG3' HD13 ' C' ' 13' ' ' LEU . 18.6 mtpt -79.1 -32.72 44.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.602 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.8 134.29 4.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.319 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.45 -42.89 8.91 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.385 2.057 . . . . 0.0 112.12 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.587 HD13 HG12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -59.98 -55.17 37.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.182 179.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.888 ' CE1' HD21 ' C' ' 51' ' ' LEU . 26.1 t80 -58.77 -45.21 90.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.453 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -56.49 -35.2 67.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.573 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -65.71 -41.96 91.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.279 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.801 HG12 HD21 ' A' ' 53' ' ' LEU . 8.4 mt -59.16 -45.5 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.873 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.888 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -68.4 -35.75 78.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.461 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 87.0 m -53.92 -47.32 71.31 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.755 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -61.55 -47.67 84.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.623 178.652 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.626 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -59.03 -31.95 69.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.733 178.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -65.05 -38.3 90.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.916 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -60.65 -50.09 74.89 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.892 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 1.055 HG21 HG21 ' D' ' 131' ' ' ILE . 63.5 mt -59.96 -36.65 68.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.857 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -59.91 -36.71 77.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.96 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -66.39 -40.61 89.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.951 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.3 mt -54.47 -50.41 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.516 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -37.49 87.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.889 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.23 -58.47 14.38 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.668 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.75 -57.78 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 0.0 110.961 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.496 HD13 ' O ' ' C' ' 60' ' ' LEU . 5.7 mp -51.68 -24.51 5.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.553 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.933 179.624 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . 0.602 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.991 0.424 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . 0.602 HG13 ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER -165.23 30.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.156 -179.762 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 141.93 30.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.634 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.586 HD12 HG22 ' D' ' 132' ' ' THR . 1.5 mm -81.85 160.1 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.038 0.447 . . . . 0.0 111.152 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 1.054 HD13 ' HB3' ' A' ' 37' ' ' ALA . 3.6 tp -146.78 53.41 1.1 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.5 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.87 126.48 2.49 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.445 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.757 HG12 HG13 ' D' ' 116' ' ' VAL . 0.7 OUTLIER -49.3 -25.01 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.55 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.823 -178.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -42.73 97.62 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.309 -0.557 . . . . 0.0 110.372 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.94 -39.13 35.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.24 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.719 HD11 HG21 ' D' ' 116' ' ' VAL . 0.1 OUTLIER -72.38 -28.83 63.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.545 179.61 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.53 ' CB ' ' O ' ' D' ' 86' ' ' ILE . 1.5 t80 -72.48 -47.14 51.07 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -64.11 -28.45 69.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.664 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . 0.433 ' HA ' ' OE1' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -65.84 -49.21 68.99 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.621 179.613 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.7 OUTLIER -60.18 -39.18 85.57 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 120.975 0.417 . . . . 0.0 110.111 179.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -40.58 89.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.116 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . 0.512 ' CD2' ' HG3' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -69.51 -48.98 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.293 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' D' ' 93' ' ' LEU . 20.6 mt -51.87 -47.88 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.06 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.908 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.9 OUTLIER -57.48 -49.55 75.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.222 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -81.39 -1.09 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.025 0.441 . . . . 0.0 110.646 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.4 m -99.82 -32.79 10.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.489 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.898 HD12 HD11 ' D' ' 109' ' ' ILE . 57.1 mt -89.31 -47.57 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.364 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.89 41.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.59 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' D' ' 104' ' ' GLN . 1.1 m-20 -104.43 18.03 22.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.988 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.6 -72.1 0.08 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.767 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -57.25 -33.06 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.178 0.513 . . . . 0.0 110.014 179.461 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.856 ' O ' HD12 ' D' ' 109' ' ' ILE . 85.0 p -68.01 -42.14 81.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.533 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -35.84 76.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.033 0.444 . . . . 0.0 110.457 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.08 -41.57 77.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.724 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.757 ' CG ' HG22 ' A' ' 15' ' ' VAL . 12.2 m-20 -70.54 -42.33 71.32 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.908 HD13 ' HA ' ' D' ' 97' ' ' GLN . 4.1 mt -59.74 -49.07 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.332 178.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.569 ' HA ' HD12 ' D' ' 113' ' ' LEU . 8.4 t -56.41 -34.85 67.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.823 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.753 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.79 -51.32 69.39 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.781 178.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.808 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.9 mt -63.63 -41.82 98.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.352 178.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.681 ' CD1' HG22 ' D' ' 109' ' ' ILE . 4.2 mt -57.5 -40.65 79.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.673 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -61.91 -52.18 65.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.461 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.686 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.3 mp -59.95 -51.07 71.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.124 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.808 HG23 ' O ' ' D' ' 112' ' ' LEU . 61.0 t -57.08 -33.66 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.376 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -94.47 -4.21 48.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.777 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.64 128.61 36.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.699 0.285 . . . . 0.0 110.428 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -50.12 -58.74 4.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.599 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.09 -49.14 78.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 10.3 t80 -55.78 -49.59 72.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.79 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 1.9 mt-30 -55.64 -37.81 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.469 ' HB3' HG12 ' B' ' 127' ' ' ILE . 6.4 m-20 -60.56 -51.06 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.709 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.943 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -57.2 -42.84 82.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.096 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.45 ' CG ' ' CD1' ' D' ' 86' ' ' ILE . 4.3 t80 -65.11 -38.88 92.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.44 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 17.4 mmtt -62.86 -35.53 80.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 1.073 HD11 HD11 ' B' ' 127' ' ' ILE . 7.9 mt -66.37 -49.89 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.655 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.2 t-80 -67.62 -38.81 84.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.788 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.944 ' O ' HG23 ' D' ' 133' ' ' VAL . 1.3 t30 -56.02 -60.8 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.969 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.13 41.06 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 1.055 HG21 HG21 ' C' ' 57' ' ' ILE . 65.8 mt -53.69 -35.74 27.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.349 . . . . 0.0 110.516 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.655 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.9 OUTLIER -63.81 -53.18 54.8 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.163 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.944 HG23 ' O ' ' D' ' 129' ' ' ASN . 21.8 t -52.97 -47.07 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -30.93 71.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.348 179.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -58.22 9.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -59.91 -39.02 84.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -68.45 -68.2 0.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.733 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -100.05 125.73 46.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.814 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.682 ' HB3' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.625 0.25 . . . . 0.0 110.815 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 4' ' ' ASN . 20.5 Cg_endo -61.06 -30.46 89.51 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.462 2.108 . . . . 0.0 112.49 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.32 -38.67 50.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.164 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.682 ' HB3' ' HB3' ' A' ' 4' ' ' ASN . . . -63.75 -30.36 71.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.777 ' O ' HG23 ' A' ' 12' ' ' VAL . 36.2 mt-10 -66.23 -47.96 72.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.726 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -60.95 -44.75 96.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.515 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -48.59 79.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.072 0.463 . . . . 0.0 109.775 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.806 ' O ' HG23 ' A' ' 15' ' ' VAL . 29.7 tp60 -63.09 -33.79 76.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.859 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 8' ' ' GLU . 10.7 t -58.89 -56.69 15.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.564 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.88 HD13 ' HE2' ' A' ' 43' ' ' LYS . 19.1 mt -54.63 -42.09 70.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.438 . . . . 0.0 110.341 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -28.24 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.877 178.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.825 HG13 ' HB3' ' D' ' 108' ' ' ASP . 25.5 t -75.19 -37.84 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.096 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 13' ' ' LEU . 13.7 mt -64.59 -40.91 96.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.819 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -41.15 71.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.723 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -54.31 28.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.651 HD12 HD11 ' D' ' 112' ' ' LEU . 58.0 mt -54.37 -57.48 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.6 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.759 ' HB2' HD12 ' A' ' 35' ' ' LEU . 2.6 tmm_? -53.17 -33.78 54.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.718 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.97 -49.25 80.7 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.44 -0.886 . . . . 0.0 111.796 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.576 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.2 OUTLIER -61.65 -35.91 79.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 110.653 179.558 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 20' ' ' ARG . 39.1 mt -63.09 -50.44 70.52 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.723 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.407 ' HG2' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -56.59 -32.13 64.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.73 -26.24 32.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.237 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.431 ' CE ' ' HA ' ' D' ' 100' ' ' LEU . 11.6 mttm -79.28 -38.13 36.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.64 -7.67 11.13 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.567 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -94.35 86.66 4.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 110.254 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.55 15.15 13.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.849 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.6 m -78.2 -56.26 4.61 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.623 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.401 ' NE2' ' CD2' ' D' ' 95' ' ' HIS . 2.8 mp0 -72.78 -20.75 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 3.1 m-20 -50.79 -47.61 59.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -32.12 65.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.187 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -67.26 -45.96 75.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.252 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.759 HD12 ' HB2' ' A' ' 20' ' ' ARG . 1.4 mt -59.67 -32.0 70.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 t -76.48 -32.74 58.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.785 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.741 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.95 -46.37 62.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.495 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD2' HD21 ' A' ' 16' ' ' LEU . 3.1 t80 -68.79 -49.2 60.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.218 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.596 ' CA ' HD13 ' A' ' 16' ' ' LEU . 44.4 t80 -54.66 -54.51 40.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.339 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HA ' ' HG3' ' A' ' 43' ' ' LYS . 1.3 mm-40 -61.02 -52.23 65.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.7 m -54.86 -31.6 59.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.534 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.582 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -68.52 -34.98 76.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.4 179.472 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.88 ' HE2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -70.73 -32.2 69.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.71 126.0 6.51 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.304 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.35 -32.39 72.31 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.469 2.113 . . . . 0.0 112.143 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.694 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -66.27 -55.06 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.67 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.522 ' CE1' HD21 ' A' ' 51' ' ' LEU . 9.8 t80 -58.22 -43.4 87.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.542 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -57.73 -36.93 72.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.458 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -40.89 96.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.243 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.853 HG12 HD21 ' C' ' 53' ' ' LEU . 13.4 mt -59.21 -46.66 92.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.841 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.614 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -64.86 -37.57 88.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.321 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 m -53.42 -51.41 62.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.038 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.895 HD21 HG12 ' C' ' 50' ' ' ILE . 0.5 OUTLIER -58.55 -42.53 88.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.603 178.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.519 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 4.0 mm-40 -60.74 -37.58 82.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.194 179.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -59.77 -40.99 90.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.038 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 m -60.69 -45.99 92.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.767 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.947 HG21 HG21 ' B' ' 131' ' ' ILE . 12.0 mt -60.85 -34.67 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.149 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 14.4 mttm -59.95 -42.87 95.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.742 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -39.17 91.13 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.989 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.5 mt -56.78 -44.22 81.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.456 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.892 ' HE3' HG23 ' B' ' 131' ' ' ILE . 0.0 OUTLIER -59.82 -56.74 18.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.75 179.829 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.95 -37.73 94.29 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.662 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -63.48 -41.71 98.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.889 0.376 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.4 mt -82.82 109.99 17.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.775 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.835 0.35 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 m 41.06 84.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.921 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -70.43 131.47 44.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.701 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.752 HD11 HG22 ' B' ' 133' ' ' VAL . 0.1 OUTLIER -94.53 -166.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.087 -179.741 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.803 ' CD2' HD22 ' B' ' 89' ' ' LEU . 7.2 tp -144.29 -39.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.242 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.31 114.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.538 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.929 HG12 HG13 ' B' ' 116' ' ' VAL . 1.1 mt -57.41 -25.03 23.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.574 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -64.16 -47.22 80.71 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.191 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -34.35 49.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.752 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.803 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.02 -30.44 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.409 179.415 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 14.9 t80 -72.42 -50.21 28.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.91 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -28.13 69.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.598 178.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 46.6 m -65.07 -51.48 61.22 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.784 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.729 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -57.71 -38.7 75.7 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.024 0.44 . . . . 0.0 109.976 179.652 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.425 ' HE3' HD22 ' B' ' 113' ' ' LEU . 0.6 OUTLIER -59.47 -41.66 90.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.772 179.316 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -67.36 -51.26 54.33 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.673 HG23 HD21 ' C' ' 23' ' ' LEU . 13.9 mt -51.23 -46.92 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.19 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.889 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.2 OUTLIER -57.82 -49.8 75.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.223 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.72 -3.12 49.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.038 0.446 . . . . 0.0 110.552 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.3 m -97.8 -33.15 11.37 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.451 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.92 HD21 HD23 ' C' ' 23' ' ' LEU . 44.9 mt -88.78 -48.29 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.396 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.94 41.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.404 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.47 16.48 26.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.997 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.52 -71.29 0.09 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.716 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -33.96 70.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 109.953 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.846 ' O ' HD12 ' B' ' 109' ' ' ILE . 6.8 p -67.78 -39.87 84.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.35 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.413 ' H ' ' HG2' ' B' ' 106' ' ' GLN . 2.2 mm100 -60.28 -38.49 83.73 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.137 0.494 . . . . 0.0 110.023 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.7 -41.49 87.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.007 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.788 ' HB3' HG13 ' C' ' 15' ' ' VAL . 20.1 m-20 -70.26 -43.28 70.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.625 0.726 . . . . 0.0 109.046 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.889 HD13 ' HA ' ' B' ' 97' ' ' GLN . 4.0 mt -58.88 -48.94 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.268 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.582 ' HA ' HD12 ' B' ' 113' ' ' LEU . 54.8 m -56.85 -34.52 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.896 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.694 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.68 -51.42 68.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.68 178.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.897 HD22 HG13 ' C' ' 12' ' ' VAL . 1.8 mt -63.67 -41.71 98.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.374 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.652 ' CD1' HG22 ' B' ' 109' ' ' ILE . 4.9 mt -58.14 -39.48 78.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.675 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -61.57 -52.01 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.289 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.789 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.0 OUTLIER -60.89 -49.15 78.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.345 0.593 . . . . 0.0 109.909 179.067 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.929 HG13 HG12 ' B' ' 86' ' ' ILE . 98.8 t -56.61 -33.48 39.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.383 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 47.5 mt-30 -93.65 -8.16 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.42 137.94 58.25 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.659 0.266 . . . . 0.0 110.429 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -59.18 -59.38 5.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.386 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -46.05 91.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.829 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.0 t80 -57.83 -50.97 71.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.689 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.03 -36.78 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.234 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.593 ' O ' HG13 ' B' ' 127' ' ' ILE . 19.5 m120 -63.58 -51.67 64.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.005 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.628 ' HB2' HE21 ' C' ' 54' ' ' GLN . . . -56.73 -49.52 74.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.0 0.429 . . . . 0.0 111.337 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.622 ' CG ' HD12 ' B' ' 86' ' ' ILE . 9.8 t80 -55.54 -38.55 69.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.813 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -31.58 71.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.706 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.972 HD11 HD11 ' D' ' 127' ' ' ILE . 5.5 mt -63.41 -49.72 81.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.041 0.448 . . . . 0.0 110.39 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.776 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.7 t-80 -66.69 -38.79 87.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.951 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.867 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.5 OUTLIER -55.3 -60.49 3.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.175 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . 0.766 ' HB1' ' CD ' ' D' ' 119' ' ' LYS . . . -65.45 -49.3 69.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.741 0.305 . . . . 0.0 111.744 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.947 HG21 HG21 ' A' ' 57' ' ' ILE . 62.8 mt -57.65 -42.24 81.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.262 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.776 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -60.4 -45.44 93.59 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.251 0.548 . . . . 0.0 109.558 179.043 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 129' ' ' ASN . 60.3 t -56.93 -51.2 71.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.482 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.54 -30.79 71.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.245 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 14.8 ttm -56.05 -59.7 4.54 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.966 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -71.0 -35.15 71.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.66 -66.7 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 60.75 69.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.926 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.524 0.202 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.68 -54.83 2.49 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.413 2.075 . . . . 0.0 112.101 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.45 -34.1 56.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.262 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.77 92.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.846 ' O ' HG23 ' C' ' 12' ' ' VAL . 2.6 mt-10 -63.12 -48.4 78.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.798 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.463 ' HG2' HD22 ' C' ' 42' ' ' LEU . 0.1 OUTLIER -51.64 -42.5 62.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.1 tpt -61.7 -52.41 64.42 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.753 ' O ' HG23 ' C' ' 15' ' ' VAL . 27.6 tp60 -59.74 -31.43 69.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.649 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.897 HG13 HD22 ' B' ' 112' ' ' LEU . 70.6 t -63.01 -46.64 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.474 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.717 ' HA ' HD12 ' C' ' 16' ' ' LEU . 14.6 mt -58.31 -46.82 85.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.058 0.456 . . . . 0.0 109.904 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -65.1 -28.5 69.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.483 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.788 HG13 ' HB3' ' B' ' 108' ' ' ASP . 21.3 t -74.21 -37.18 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.053 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' C' ' 13' ' ' LEU . 17.5 mt -64.53 -39.69 94.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.782 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.35 -45.02 66.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.03 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -61.14 -54.54 43.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.09 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' C' ' 23' ' ' LEU . 81.6 mt -53.63 -56.56 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.966 0.412 . . . . 0.0 110.15 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.636 ' CB ' HD12 ' C' ' 35' ' ' LEU . 5.6 tmm_? -48.77 -38.94 23.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.238 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.22 -47.03 93.19 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.117 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.749 ' HB3' HD22 ' B' ' 100' ' ' LEU . 0.4 OUTLIER -62.6 -36.9 84.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.494 0.188 . . . . 0.0 111.376 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.92 HD23 HD21 ' B' ' 100' ' ' LEU . 15.9 mt -64.86 -50.32 67.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 110.502 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.402 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.2 OUTLIER -59.71 -27.66 66.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.279 179.368 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -82.5 -32.61 28.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.678 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -83.64 -28.98 28.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.277 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.35 19.93 5.67 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.365 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 21.3 m-20 -109.15 76.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 0.0 110.167 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.402 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -89.95 10.17 24.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.32 179.659 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 89.5 m -78.51 -56.1 4.7 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.362 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.514 ' HB3' HD11 ' B' ' 96' ' ' ILE . 3.9 mp0 -70.14 -20.86 63.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.585 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . 0.409 ' ND2' ' HG2' ' C' ' 20' ' ' ARG . 0.5 OUTLIER -44.07 -52.69 6.98 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.12 179.753 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -56.83 -32.79 66.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.517 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -66.35 -40.55 89.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.396 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.647 ' N ' HD23 ' C' ' 35' ' ' LEU . 2.0 mt -68.56 -33.33 73.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.412 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.24 -31.51 55.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.876 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.678 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -75.0 -44.61 47.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.553 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.737 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 3.7 t80 -69.75 -44.59 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.459 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.588 ' CA ' HD13 ' C' ' 16' ' ' LEU . 2.0 t80 -59.8 -53.18 60.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.053 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.76 -52.08 66.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.001 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.455 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 92.7 m -57.45 -36.14 71.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.849 0.357 . . . . 0.0 110.532 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.737 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 2.1 mt -63.65 -34.0 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.17 0.51 . . . . 0.0 109.948 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.455 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 22.1 mtpt -84.25 -29.78 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.666 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . 0.429 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 31.2 t -44.35 135.63 4.26 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.395 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 25.1 Cg_exo -61.72 -48.18 9.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.468 2.112 . . . . 0.0 112.017 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.579 HD13 HG12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.83 -55.06 39.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.551 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.607 ' CE1' HD21 ' C' ' 51' ' ' LEU . 16.4 t80 -56.77 -46.83 81.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.624 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -55.97 -36.95 68.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.592 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -63.75 -41.19 98.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.485 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.895 HG12 HD21 ' A' ' 53' ' ' LEU . 26.4 mt -60.85 -47.16 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.609 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -67.63 -34.64 77.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.243 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -53.85 -54.02 44.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.993 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.853 HD21 HG12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -58.3 -46.27 86.41 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.602 178.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.628 HE21 ' HB2' ' B' ' 124' ' ' ALA . 4.3 mt-30 -60.17 -31.25 69.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.911 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -41.68 99.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.651 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -60.77 -43.77 97.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.459 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.768 ' HA ' HD12 ' C' ' 60' ' ' LEU . 5.7 mt -61.41 -34.64 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.825 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -43.34 95.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.614 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -42.17 95.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.102 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.0 OUTLIER -51.83 -54.8 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.507 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.844 ' HE3' HG23 ' D' ' 131' ' ' ILE . 0.0 OUTLIER -60.65 -30.52 69.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.036 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.17 5.85 61.37 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 113.378 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.22 21.88 0.75 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 117.203 0.501 . . . . 0.0 111.608 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mt -79.35 129.15 34.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.691 0.281 . . . . 0.0 110.663 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 -179.884 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 15.6 m 41.84 61.41 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.662 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 123.71 16.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.76 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.808 HD11 HG22 ' D' ' 133' ' ' VAL . 0.1 OUTLIER -94.54 -164.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 0.79 ' CD2' HD22 ' D' ' 89' ' ' LEU . 14.2 tp -139.55 -41.6 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.446 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.85 110.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.2 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.918 HG12 HG13 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -55.36 -25.69 17.67 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.768 -179.063 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.53 -47.23 82.49 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.075 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.5 -33.6 54.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.683 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.79 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -72.15 -30.01 64.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.271 179.396 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.564 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 8.3 t80 -72.38 -50.31 27.49 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.941 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -62.94 -28.77 70.3 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 35.3 m -63.24 -53.22 56.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.722 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.797 ' HA ' HD12 ' D' ' 96' ' ' ILE . 0.8 OUTLIER -58.18 -37.29 74.46 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . 0.433 ' HE2' ' CE1' ' D' ' 90' ' ' PHE . 0.6 OUTLIER -59.52 -37.2 77.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.0 OUTLIER -72.36 -48.54 40.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.107 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' D' ' 93' ' ' LEU . 12.0 mt -55.41 -43.12 70.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.612 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.858 ' HA ' HD13 ' D' ' 109' ' ' ILE . 12.7 pt20 -63.13 -43.5 98.21 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.557 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . 0.418 ' N ' ' HG3' ' D' ' 97' ' ' GLN . 2.4 m80 -86.02 -0.89 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.451 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . 0.433 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.6 m -102.61 -32.64 9.8 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.495 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.915 HD12 HD11 ' D' ' 109' ' ' ILE . 78.4 mt -90.97 -48.75 6.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.288 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.53 34.98 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.654 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.81 19.18 11.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.928 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.93 -70.15 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -32.94 70.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.101 0.476 . . . . 0.0 109.971 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.801 ' O ' HD12 ' D' ' 109' ' ' ILE . 90.9 p -70.05 -40.05 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.622 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -34.74 78.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 110.359 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.89 -40.75 72.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.427 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.825 ' HB3' HG13 ' A' ' 15' ' ' VAL . 15.2 m-20 -70.93 -40.96 71.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.753 0.787 . . . . 0.0 109.119 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.915 HD11 HD12 ' D' ' 100' ' ' LEU . 5.3 mt -62.38 -49.52 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.551 178.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.636 ' HA ' HD12 ' D' ' 113' ' ' LEU . 12.3 t -55.96 -37.94 69.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.306 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.568 HD23 HD23 ' D' ' 112' ' ' LEU . 7.0 tt -56.92 -50.25 73.13 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.844 ' O ' HG23 ' D' ' 116' ' ' VAL . 4.0 mt -61.49 -43.83 98.17 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' D' ' 110' ' ' SER . 5.1 mt -55.5 -39.25 70.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.346 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.83 -52.1 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.398 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.61 ' CD2' HG21 ' A' ' 12' ' ' VAL . 2.8 mp -59.53 -49.38 78.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.351 0.596 . . . . 0.0 109.945 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.918 HG13 HG12 ' D' ' 86' ' ' ILE . 61.8 t -55.45 -36.99 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.676 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.468 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 53.9 mt-30 -89.18 -10.3 47.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 1.1 m-20 -61.25 127.59 32.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 0.0 110.48 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . 0.766 ' CD ' ' HB1' ' B' ' 130' ' ' ALA . 0.4 OUTLIER -52.23 -58.95 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.532 -179.313 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.52 -47.47 85.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.0 t80 -55.93 -51.87 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.753 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -38.85 67.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.995 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -59.99 -48.65 80.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.921 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -58.77 -49.22 78.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.015 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.647 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 2.9 t80 -60.31 -40.34 90.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.463 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -35.68 81.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.626 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 0.972 HD11 HD11 ' B' ' 127' ' ' ILE . 10.6 mt -64.06 -49.63 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.01 0.433 . . . . 0.0 110.444 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.686 ' O ' ' HB ' ' D' ' 132' ' ' THR . 20.2 t-80 -63.18 -45.63 90.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.317 -179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.882 ' O ' HG23 ' D' ' 133' ' ' VAL . 25.6 t-20 -55.31 -60.81 2.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.67 -52.0 65.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.844 HG23 ' HE3' ' C' ' 61' ' ' LYS . 52.8 mt -56.11 -40.78 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.357 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.686 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -60.67 -43.96 97.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.263 0.554 . . . . 0.0 109.565 178.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.882 HG23 ' O ' ' D' ' 129' ' ' ASN . 50.5 t -55.65 -51.66 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.542 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -64.02 -30.71 71.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.107 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.2 ttm -54.66 -62.05 1.91 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -62.18 -39.21 91.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.006 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -66.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 60.76 155.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.098 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.334 -0.841 . . . . 0.0 111.016 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.51 HD21 ' HB2' ' A' ' 7' ' ' ALA . 9.1 p-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.676 0.274 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.74 -28.91 59.79 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.588 2.192 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.12 -35.88 81.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.51 ' HB2' HD21 ' A' ' 4' ' ' ASN . . . -60.96 -35.25 76.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.737 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.5 mm-40 -67.86 -53.39 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.3 tttt -53.76 -43.35 69.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 mmt -60.64 -44.5 96.32 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.508 ' NE2' HG23 ' A' ' 15' ' ' VAL . 25.1 tp60 -68.23 -31.37 70.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.662 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.746 HG21 ' CD2' ' D' ' 115' ' ' LEU . 60.8 t -62.69 -56.34 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.637 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.86 ' HA ' HD12 ' A' ' 16' ' ' LEU . 20.7 mt -55.49 -42.6 74.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.046 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -69.63 -28.24 65.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.555 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.817 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.1 t -73.66 -37.02 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.942 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 13' ' ' LEU . 10.7 mt -64.75 -45.19 87.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.992 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HA ' ' HD2' ' A' ' 20' ' ' ARG . 0.5 OUTLIER -67.67 -39.26 84.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.777 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -53.21 18.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.649 HD12 HD11 ' D' ' 112' ' ' LEU . 35.8 mt -52.28 -57.8 8.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.045 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.839 ' CB ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -56.88 -37.85 71.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.258 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 24' ' ' GLN . . . -57.43 -44.4 93.64 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.544 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.619 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.7 OUTLIER -62.72 -41.1 98.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.2 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.653 HD21 HG23 ' D' ' 96' ' ' ILE . 23.4 mt -62.96 -50.43 70.82 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.681 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -54.47 -31.16 55.18 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.271 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.481 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 1.1 mm-40 -83.38 -32.11 26.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.886 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 22' ' ' LYS . 7.5 mttt -73.67 -31.8 63.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.991 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.37 6.47 9.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.288 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -110.94 82.97 1.68 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.947 0.404 . . . . 0.0 110.051 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.55 HG22 ' ND2' ' A' ' 32' ' ' ASN . 0.2 OUTLIER -95.61 32.26 1.86 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.282 0.563 . . . . 0.0 109.637 179.701 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.3 m -101.09 -40.5 7.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.466 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.647 ' HB3' HD11 ' D' ' 96' ' ' ILE . 3.2 mm-40 -72.36 -26.16 61.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.583 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.55 ' ND2' HG22 ' A' ' 29' ' ' THR . 33.6 p-10 -47.98 -46.32 32.48 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -32.89 66.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.061 0.458 . . . . 0.0 110.007 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -75.85 -44.64 39.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.876 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.839 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.3 mt -63.4 -31.45 72.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.128 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.4 m -77.09 -32.59 56.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.636 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.785 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.98 -48.07 55.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.436 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 4.5 t80 -66.72 -46.37 75.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.343 0.592 . . . . 0.0 109.843 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.66 ' CA ' HD13 ' A' ' 16' ' ' LEU . 11.4 t80 -58.04 -53.42 58.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.792 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.82 -52.07 66.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.644 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.3 m -57.05 -33.01 66.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.326 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.696 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -65.12 -36.02 82.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.993 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.834 ' HE2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.96 -29.77 64.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.779 179.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.6 t -45.42 125.9 6.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.443 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -60.5 -46.69 16.49 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.28 1.987 . . . . 0.0 111.718 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.659 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.2 OUTLIER -57.77 -53.09 62.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.325 179.708 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.92 ' CE1' HD21 ' A' ' 51' ' ' LEU . 12.6 t80 -58.19 -48.08 81.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.377 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -55.98 -37.08 68.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.57 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -61.61 -44.07 97.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.262 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.8 HG12 HD21 ' C' ' 53' ' ' LEU . 6.9 mt -58.61 -43.09 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.796 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.92 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -68.67 -36.93 79.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.8 m -53.66 -50.66 65.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.1 0.476 . . . . 0.0 110.014 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.818 HD21 HG12 ' C' ' 50' ' ' ILE . 0.6 OUTLIER -60.71 -45.85 92.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.705 178.778 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.624 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 3.9 mt-30 -60.65 -32.88 72.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.401 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -63.63 -40.53 97.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 t -60.77 -43.15 98.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.455 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.962 HG21 HG21 ' B' ' 131' ' ' ILE . 7.7 mt -61.58 -36.86 75.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.044 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -60.53 -38.58 84.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.742 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -63.94 -40.5 96.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.99 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -55.42 -49.06 73.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.671 179.335 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -59.73 -49.07 79.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.93 -38.36 95.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.621 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -54.79 22.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.878 0.37 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.33 87.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.728 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.671 0.272 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 26.8 m -145.43 35.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 111.263 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.88 135.37 46.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.636 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.857 HD11 HG22 ' B' ' 133' ' ' VAL . 0.2 OUTLIER -91.73 -165.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.84 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 1.004 HD13 ' HB3' ' C' ' 37' ' ' ALA . 69.6 tp -141.38 -45.0 0.37 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.832 0.348 . . . . 0.0 111.541 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.06 100.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.087 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.794 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -49.88 -27.51 3.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.456 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.578 -179.4 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.01 -46.09 89.29 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.276 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -77.15 -36.54 55.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.129 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.75 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.43 -29.7 63.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.607 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.46 -46.82 53.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.132 0.492 . . . . 0.0 109.849 179.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 59.7 m -61.51 -34.01 74.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.678 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . 0.811 ' C ' HD12 ' B' ' 96' ' ' ILE . 0.6 OUTLIER -62.31 -53.5 54.16 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.631 179.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.742 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.6 OUTLIER -55.02 -35.65 64.65 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -45.37 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.571 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.429 ' CE1' ' HG1' ' B' ' 99' ' ' THR . 2.3 t60 -66.86 -55.66 13.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.811 HD12 ' C ' ' B' ' 92' ' ' SER . 4.1 mt -50.86 -33.55 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.19 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.608 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.5 OUTLIER -65.18 -48.68 72.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 110.94 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.22 -21.64 49.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.002 0.43 . . . . 0.0 110.419 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . 0.429 ' HG1' ' CE1' ' B' ' 95' ' ' HIS . 1.4 m -84.67 -33.36 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.273 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.681 HD12 ' CG2' ' B' ' 96' ' ' ILE . 94.1 mt -108.48 79.96 1.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.79 38.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.122 -178.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.63 17.41 5.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.925 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' B' ' 106' ' ' GLN . 5.9 m 70.91 -68.2 0.22 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.783 0.325 . . . . 0.0 111.041 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -30.58 70.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.471 . . . . 0.0 109.828 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.686 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.2 OUTLIER -72.08 -47.01 54.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.748 179.52 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' B' ' 103' ' ' SER . 5.0 pt20 -61.65 -30.25 70.59 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.872 0.367 . . . . 0.0 110.232 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -71.18 -41.21 70.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.282 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.71 ' HB3' HG13 ' C' ' 15' ' ' VAL . 30.8 m-20 -70.27 -41.34 73.59 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.686 HD12 ' O ' ' B' ' 105' ' ' SER . 4.8 mt -60.23 -49.46 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.494 178.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.622 ' HA ' HD12 ' B' ' 113' ' ' LEU . 49.4 m -56.39 -34.41 66.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.605 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.502 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.69 -51.45 68.72 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.828 178.779 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.858 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.1 mt -62.82 -43.72 98.04 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' B' ' 110' ' ' SER . 5.5 mt -56.1 -40.76 74.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.782 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.97 -51.82 66.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.474 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.4 mp -60.13 -50.32 74.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.215 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.858 HG23 ' O ' ' B' ' 112' ' ' LEU . 43.3 t -59.37 -35.89 60.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.473 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -89.57 -6.38 56.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.664 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.05 151.62 42.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 110.553 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.12 -58.65 3.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.232 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . 0.493 ' OD2' HD13 ' D' ' 131' ' ' ILE . 0.8 OUTLIER -61.49 -47.35 86.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.961 -179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 9.8 t80 -55.59 -51.07 68.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.651 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' B' ' 126' ' ' LYS . 71.3 mt-30 -54.23 -41.19 68.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.429 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.5 OUTLIER -59.65 -49.66 76.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.9 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.11 -45.02 87.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.008 0.432 . . . . 0.0 110.965 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.509 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 1.9 t80 -59.91 -38.4 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' B' ' 122' ' ' GLN . 2.8 mmtt -65.08 -38.47 90.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.71 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 1.026 HD11 HD11 ' D' ' 127' ' ' ILE . 18.5 mt -60.83 -49.46 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.123 0.487 . . . . 0.0 110.465 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.717 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.5 t-80 -66.88 -28.68 68.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.904 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.4 t30 -64.67 -60.95 2.52 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.39 -50.78 62.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.962 HG21 HG21 ' A' ' 57' ' ' ILE . 64.8 mt -53.75 -41.59 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 121.25 -0.18 . . . . 0.0 111.191 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.717 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.5 OUTLIER -61.81 -48.66 79.63 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.737 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 129' ' ' ASN . 39.8 t -55.61 -51.22 60.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.799 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -63.47 -30.85 71.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.271 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 15.9 ttm -56.66 -54.3 47.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.899 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -78.92 -34.85 44.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -72.56 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -80.41 76.56 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.878 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.764 0.316 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.21 -22.85 74.82 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.701 2.267 . . . . 0.0 112.423 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.94 -29.44 63.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.33 -43.19 92.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.001 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.768 ' O ' HG23 ' C' ' 12' ' ' VAL . 14.9 mt-10 -62.51 -54.39 40.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.5 tmmm? -59.1 -43.18 91.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.56 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.2 tpt -61.47 -49.2 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.495 ' NE2' HG23 ' C' ' 15' ' ' VAL . 30.3 tp60 -62.8 -33.19 74.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.74 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.768 HG23 ' O ' ' C' ' 8' ' ' GLU . 25.4 t -60.7 -56.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.509 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.652 HD21 HD22 ' C' ' 42' ' ' LEU . 15.6 mt -53.53 -42.4 67.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 110.365 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -28.4 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.739 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.823 ' CG1' HD21 ' B' ' 112' ' ' LEU . 3.2 t -75.13 -36.36 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.906 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.544 HD11 ' CD1' ' C' ' 42' ' ' LEU . 69.2 mt -64.29 -42.62 96.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -70.09 -44.93 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.979 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -54.52 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.269 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.755 HD12 HD11 ' B' ' 112' ' ' LEU . 65.9 mt -54.85 -56.99 13.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.429 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.74 ' HB3' HD12 ' C' ' 35' ' ' LEU . 0.2 OUTLIER -54.55 -30.29 53.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.764 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.21 -43.39 80.31 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.229 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.418 ' CB ' ' CD2' ' B' ' 100' ' ' LEU . 2.4 mmtp -59.39 -37.33 77.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 110.492 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.69 HD13 ' HB2' ' C' ' 31' ' ' GLN . 22.9 mt -66.37 -50.07 64.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.506 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.555 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -57.36 -27.3 62.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.324 179.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.75 -33.9 27.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.441 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -80.45 -30.65 37.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.403 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.56 20.96 3.75 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.684 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -116.44 81.89 1.7 Allowed 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.983 0.421 . . . . 0.0 110.05 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.555 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -90.12 8.67 31.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.394 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -86.74 -42.8 13.05 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.306 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.69 ' HB2' HD13 ' C' ' 23' ' ' LEU . 3.4 mp0 -72.41 -22.5 61.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.502 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.91 -38.18 75.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.452 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.74 -42.13 78.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.848 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.422 ' HG2' ' CB ' ' B' ' 92' ' ' SER . 0.0 OUTLIER -60.56 -55.07 37.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.048 178.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.1 mt -57.96 -33.7 69.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.422 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -77.12 -32.48 56.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.013 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 1.004 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.18 -42.05 66.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.431 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.729 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 7.4 t80 -71.72 -47.43 53.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.467 0.651 . . . . 0.0 109.769 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.472 ' CZ ' ' NZ ' ' C' ' 43' ' ' LYS . 80.7 t80 -53.55 -53.12 56.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.316 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.51 -52.31 65.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.971 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.817 HG22 ' CD2' ' C' ' 47' ' ' PHE . 86.6 m -59.66 -33.32 71.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.904 0.383 . . . . 0.0 110.374 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.729 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 0.3 OUTLIER -62.67 -36.74 83.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.983 179.182 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.638 ' HE2' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -71.27 -33.32 69.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.408 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 27.9 m -45.95 124.66 6.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.162 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.46 -42.41 34.09 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.237 1.958 . . . . 0.0 111.5 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -57.82 -55.56 33.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.629 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.817 ' CD2' HG22 ' C' ' 41' ' ' THR . 10.6 t80 -60.89 -41.99 97.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.329 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -58.45 -34.99 71.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.343 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -67.48 -39.45 85.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.323 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.818 HG12 HD21 ' A' ' 53' ' ' LEU . 40.3 mt -59.73 -44.75 94.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.804 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.64 ' N ' HD23 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -67.23 -36.81 82.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.329 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 73.4 m -53.99 -50.41 66.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.992 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.8 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -59.45 -46.31 89.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.894 178.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.482 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -60.46 -33.52 72.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.942 179.151 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -40.03 95.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.85 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.97 -48.0 83.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.739 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.902 HG21 HG21 ' D' ' 131' ' ' ILE . 6.5 mt -60.27 -35.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.048 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -61.7 -36.37 80.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.623 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.02 -39.87 90.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.775 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.8 OUTLIER -53.81 -55.11 29.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.389 179.265 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -63.23 -30.13 71.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.9 -67.54 1.65 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.78 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.43 -44.56 17.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.734 0.302 . . . . 0.0 111.365 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.36 -75.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.802 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 179.852 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.847 0.356 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 7.0 m 41.4 80.68 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.008 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . 0.427 ' C ' HD13 ' D' ' 83' ' ' ILE . 0.1 OUTLIER -88.62 145.4 25.7 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.858 179.64 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.762 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.0 OUTLIER -104.24 -165.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.121 0.486 . . . . 0.0 111.244 -179.778 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 0.822 ' CD2' HD22 ' D' ' 89' ' ' LEU . 9.5 tp -145.46 -32.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.354 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.36 109.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.741 0.305 . . . . 0.0 110.41 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.918 HG12 HG13 ' D' ' 116' ' ' VAL . 0.8 OUTLIER -55.99 -28.76 25.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.812 -179.315 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.11 -44.97 94.18 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.347 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.0 -34.82 50.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.839 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.822 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -72.13 -29.67 64.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.37 179.287 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 13.6 t80 -72.29 -50.25 28.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.941 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 35.7 m -62.03 -30.17 70.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.642 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 1.5 m -62.77 -52.13 64.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.354 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.759 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.7 OUTLIER -57.24 -36.89 71.5 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.488 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -59.92 -38.46 82.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.826 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -71.27 -50.47 32.36 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.486 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.653 HG23 HD21 ' A' ' 23' ' ' LEU . 10.2 mt -55.75 -39.72 57.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.09 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.899 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.72 -50.97 68.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.99 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -80.99 -1.37 43.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.541 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.5 m -100.7 -33.86 10.1 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.752 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.977 HD12 HD11 ' D' ' 109' ' ' ILE . 36.4 mt -87.91 -51.78 5.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.31 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 40.35 36.09 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.812 178.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.3 OUTLIER -99.84 23.17 10.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.765 179.661 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.73 -72.02 0.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.749 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -59.74 -31.27 69.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.032 0.444 . . . . 0.0 109.876 179.338 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.74 ' OG ' HD13 ' D' ' 100' ' ' LEU . 0.6 OUTLIER -69.86 -40.82 75.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.445 179.429 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -32.26 73.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.075 0.464 . . . . 0.0 110.129 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -71.05 -40.78 71.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.417 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.775 ' CG ' HG22 ' A' ' 15' ' ' VAL . 70.4 m-20 -70.65 -44.43 67.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.802 0.811 . . . . 0.0 108.813 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.977 HD11 HD12 ' D' ' 100' ' ' LEU . 6.3 mt -60.43 -49.07 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.73 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.656 ' HA ' HD12 ' D' ' 113' ' ' LEU . 7.8 m -57.56 -34.06 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.353 179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.65 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -59.39 -51.42 70.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.1 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.882 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.9 mt -61.67 -43.34 99.05 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' D' ' 110' ' ' SER . 6.1 mt -55.22 -50.3 69.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.489 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . 0.414 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 6.8 mt-30 -61.32 -44.26 97.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.396 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.746 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.6 mp -60.11 -37.98 81.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.966 179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.918 HG13 HG12 ' D' ' 86' ' ' ILE . 83.2 t -69.24 -53.73 23.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.625 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -63.21 -18.89 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.793 -179.326 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' D' ' 115' ' ' LEU . 2.6 m120 -53.15 114.3 1.42 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.789 0.328 . . . . 0.0 110.534 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . 0.488 ' HG2' ' N ' ' D' ' 120' ' ' ASP . 0.0 OUTLIER -47.99 -47.51 33.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.934 -179.143 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . 0.488 ' N ' ' HG2' ' D' ' 119' ' ' LYS . 0.9 OUTLIER -65.94 -50.66 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 111.111 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 2.9 t80 -59.58 -44.86 93.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.03 0.443 . . . . 0.0 110.288 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 7.9 tt0 -55.96 -41.7 75.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.235 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.476 ' HB3' HG12 ' B' ' 127' ' ' ILE . 21.9 m120 -64.81 -42.46 94.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.766 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.867 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -57.55 -49.23 77.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.086 0.47 . . . . 0.0 110.864 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.562 ' CG ' HD12 ' D' ' 86' ' ' ILE . 11.4 t80 -59.37 -37.44 77.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.988 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 5.7 mmpt? -63.92 -36.22 83.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.665 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 1.026 HD11 HD11 ' B' ' 127' ' ' ILE . 15.4 mt -64.66 -49.37 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.656 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.645 ' O ' ' HB ' ' D' ' 132' ' ' THR . 21.0 t-80 -64.08 -50.16 69.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.805 ' O ' HG23 ' D' ' 133' ' ' VAL . 63.1 t-20 -55.59 -58.7 6.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.723 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.75 -52.16 66.9 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.902 HG21 HG21 ' C' ' 57' ' ' ILE . 60.9 mt -59.59 -43.41 90.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.234 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.762 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -62.62 -46.69 87.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.106 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.805 HG23 ' O ' ' D' ' 129' ' ' ASN . 92.0 t -58.08 -48.05 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.096 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -63.16 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.011 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 4.9 ttm -59.41 -45.95 90.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.349 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -66.57 -41.36 88.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.778 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -58.97 6.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -67.53 124.23 22.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.875 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.484 0.183 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.25 -27.81 55.93 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.452 2.102 . . . . 0.0 112.42 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.4 64.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.93 -36.25 70.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.709 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.0 mt-10 -64.75 -56.83 11.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 5.2 tmmm? -61.06 -43.82 98.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.603 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 tpt -61.6 -46.91 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.507 ' O ' HG23 ' A' ' 15' ' ' VAL . 28.6 tp60 -62.73 -38.76 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 8' ' ' GLU . 17.7 t -54.92 -54.99 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.524 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.791 ' HA ' HD12 ' A' ' 16' ' ' LEU . 14.5 mt -53.93 -45.11 71.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.287 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -28.72 68.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.979 178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.761 HG13 ' HB3' ' D' ' 108' ' ' ASP . 10.7 t -73.31 -37.73 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.895 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 13' ' ' LEU . 12.3 mt -64.3 -43.14 95.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.138 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -72.18 -33.08 67.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -53.66 13.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.713 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.705 HD12 HD11 ' D' ' 112' ' ' LEU . 85.4 mt -55.44 -57.19 12.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 0.0 110.622 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.837 ' HA ' HD12 ' A' ' 23' ' ' LEU . 2.1 ppt_? -56.24 -35.07 66.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.823 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 24' ' ' GLN . . . -61.68 -43.82 98.74 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.489 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.638 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.0 OUTLIER -64.33 -34.88 79.17 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.283 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 20' ' ' ARG . 14.8 mt -68.57 -50.09 54.48 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.275 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -57.76 -26.99 62.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.188 179.437 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 4.2 mm-40 -82.51 -32.09 28.91 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.165 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.1 OUTLIER -77.19 -39.03 50.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.08 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.79 -4.3 5.75 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.721 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.496 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 86.1 m-20 -100.49 80.06 2.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.327 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.73 5.91 33.97 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.144 0.497 . . . . 0.0 110.005 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.9 m -69.05 -54.18 16.46 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.45 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.453 ' HB3' HD11 ' D' ' 96' ' ' ILE . 3.4 mp0 -71.63 -23.99 61.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.144 179.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -54.23 -46.36 72.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.346 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -32.83 66.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.176 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.495 ' O ' HD13 ' D' ' 84' ' ' LEU . 4.3 mmmm -66.03 -47.45 74.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.212 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.694 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.2 mt -61.46 -30.9 70.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.489 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -76.53 -31.88 57.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.868 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.9 -48.56 44.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.485 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.948 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 5.5 t80 -69.15 -40.71 78.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.194 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.639 ' HA ' HD13 ' A' ' 16' ' ' LEU . 2.0 t80 -58.9 -53.38 59.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.776 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -59.32 -38.71 80.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.557 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.543 HG22 ' CZ ' ' A' ' 47' ' ' PHE . 91.7 m -63.08 -45.85 90.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.514 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.948 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 6.2 mt -60.2 -32.58 71.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.207 0.527 . . . . 0.0 110.396 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.461 ' CD ' ' CE1' ' A' ' 39' ' ' TYR . 23.0 mtpt -77.63 -29.9 52.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.663 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB2' ' CB ' ' A' ' 47' ' ' PHE . 49.2 m -45.43 142.21 3.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.329 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -62.52 -64.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.54 2.16 . . . . 0.0 112.87 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.9 HD13 HG12 ' C' ' 57' ' ' ILE . 0.3 OUTLIER -57.35 -34.36 68.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.722 -179.783 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.543 ' CZ ' HG22 ' A' ' 41' ' ' THR . 31.9 t80 -63.28 -47.35 82.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.115 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -55.55 -35.56 65.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.903 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -64.65 -40.17 94.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.289 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.741 HG12 HD21 ' C' ' 53' ' ' LEU . 1.9 mt -62.98 -44.67 99.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.752 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.562 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -70.68 -43.2 69.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.55 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.8 m -54.92 -45.87 74.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.39 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.803 HD21 HG12 ' C' ' 50' ' ' ILE . 1.1 tt -62.29 -47.71 83.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.287 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.628 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.3 OUTLIER -58.72 -42.57 89.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.752 179.521 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -33.3 74.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.396 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.77 -42.31 90.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.764 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.718 HG21 HG21 ' B' ' 131' ' ' ILE . 2.4 mt -61.15 -44.0 97.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.152 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -55.13 -44.32 74.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.259 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -58.92 -41.12 86.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.093 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.683 HD13 HD21 ' C' ' 46' ' ' LEU . 1.6 mt -61.54 -41.46 97.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.615 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HZ3' HG23 ' B' ' 131' ' ' ILE . 0.1 OUTLIER -59.27 -43.3 92.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.983 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.86 -30.46 38.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.52 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -68.9 -46.09 69.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.735 0.302 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.5 mt -59.18 115.39 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.822 0.344 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.525 HG12 ' OG1' ' B' ' 132' ' ' THR . 2.9 m 40.72 56.28 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.894 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.82 92.53 3.97 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.148 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.939 HG21 ' HA ' ' B' ' 129' ' ' ASN . 0.2 OUTLIER -84.85 -172.2 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.033 -179.713 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' B' ' 89' ' ' LEU . 2.2 pt? -165.95 21.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.562 ' O ' ' O ' ' B' ' 84' ' ' LEU . 2.1 mm-40 44.44 113.16 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.95 0.405 . . . . 0.0 111.869 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.93 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -51.51 -27.42 7.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.677 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -42.25 99.2 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.059 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.79 -40.61 40.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.701 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.765 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.2 OUTLIER -73.16 -28.18 62.08 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.639 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 18.6 t80 -69.37 -48.26 61.81 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 25.0 t -64.38 -29.34 70.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -50.62 68.38 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.522 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.805 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.7 OUTLIER -59.15 -37.82 78.23 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.89 0.376 . . . . 0.0 110.029 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.71 -38.87 82.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.839 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.487 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 0.2 OUTLIER -72.06 -46.28 57.54 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.284 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.805 HD12 ' HA ' ' B' ' 93' ' ' LEU . 19.4 mt -54.63 -44.81 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.863 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.933 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -58.42 -48.47 80.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.505 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.24 -0.96 51.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.015 0.436 . . . . 0.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . 0.494 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 2.8 m -100.42 -31.24 11.4 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.427 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.706 HD12 HD11 ' B' ' 109' ' ' ILE . 26.3 mt -92.51 -49.7 5.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.212 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.85 34.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.716 179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' B' ' 104' ' ' GLN . 11.1 m-20 -96.96 19.93 11.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.79 -70.85 0.1 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.65 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -59.42 -29.16 67.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.041 0.448 . . . . 0.0 110.013 179.202 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.825 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -70.7 -42.94 69.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.642 179.505 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -35.73 79.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.402 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -69.75 -40.93 75.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.724 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.783 ' CG ' HG22 ' C' ' 15' ' ' VAL . 50.1 m-20 -70.56 -43.17 70.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.768 0.794 . . . . 0.0 108.951 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.933 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.0 mt -59.7 -49.13 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.504 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.584 ' HA ' HD12 ' B' ' 113' ' ' LEU . 6.0 t -56.07 -35.69 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.913 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.728 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.67 -51.33 69.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.958 178.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.814 HD21 ' CG1' ' C' ' 15' ' ' VAL . 1.6 mt -63.51 -39.51 94.61 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.639 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.2 mt -60.31 -39.63 87.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.441 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -52.33 64.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.568 ' CD2' HG21 ' C' ' 12' ' ' VAL . 0.8 OUTLIER -60.98 -50.62 72.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.276 0.56 . . . . 0.0 109.8 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.93 HG13 HG12 ' B' ' 86' ' ' ILE . 73.9 t -53.7 -36.04 28.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.513 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 53.0 mt-30 -90.91 -9.97 44.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.32 130.21 45.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.782 0.325 . . . . 0.0 110.418 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -58.91 4.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.653 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.75 -49.8 73.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.189 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.491 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.4 t80 -55.46 -56.1 24.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.34 . . . . 0.0 110.679 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -51.67 -37.12 49.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.492 ' HB3' HG12 ' D' ' 127' ' ' ILE . 3.7 m-20 -62.04 -51.86 66.3 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.771 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.592 ' HB2' ' NE2' ' C' ' 54' ' ' GLN . . . -56.89 -49.31 75.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.241 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.607 ' HB3' HD12 ' B' ' 86' ' ' ILE . 40.1 t80 -53.06 -39.91 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.14 -37.26 80.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.57 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.694 ' CD1' HD11 ' D' ' 127' ' ' ILE . 14.8 mt -67.26 -49.91 67.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 121.003 0.43 . . . . 0.0 110.646 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.781 ' O ' ' HB ' ' B' ' 132' ' ' THR . 27.4 t-80 -68.59 -27.71 66.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.905 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.939 ' HA ' HG21 ' B' ' 83' ' ' ILE . 0.9 OUTLIER -67.43 -60.86 2.23 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.222 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.57 -49.34 71.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.718 HG21 HG21 ' A' ' 57' ' ' ILE . 62.7 mt -56.74 -43.1 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.452 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.781 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.3 OUTLIER -61.21 -49.25 77.9 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.331 0.586 . . . . 0.0 109.56 179.022 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.928 HG23 ' O ' ' B' ' 129' ' ' ASN . 58.4 t -52.79 -48.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.385 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.9 -32.09 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.4 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 29.5 ttm -56.75 -57.25 13.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -76.57 -34.75 58.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -60.41 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -123.84 139.75 53.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 48.8 p . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.897 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . 0.4 ' HB3' ' HB3' ' C' ' 7' ' ' ALA . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.537 0.208 . . . . 0.0 110.92 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.27 -27.86 78.48 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.399 2.066 . . . . 0.0 112.371 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.65 -36.47 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' C' ' 4' ' ' ASN . . . -59.17 -32.02 69.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.844 ' O ' HG23 ' C' ' 12' ' ' VAL . 44.9 mt-10 -63.5 -54.51 35.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.701 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.486 ' HE2' HD11 ' C' ' 13' ' ' LEU . 1.3 tmtt? -54.74 -41.68 70.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.711 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.7 tpt -61.49 -47.76 84.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.121 0.486 . . . . 0.0 109.723 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.496 ' NE2' HG23 ' C' ' 15' ' ' VAL . 32.7 tp60 -65.36 -30.98 71.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.809 178.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.844 HG23 ' O ' ' C' ' 8' ' ' GLU . 74.2 t -62.55 -53.73 43.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.63 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.69 HD13 ' HE2' ' C' ' 43' ' ' LYS . 20.2 mt -56.64 -43.92 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -28.72 68.45 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.814 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.1 t -73.12 -38.61 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.837 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.665 HD21 ' HD2' ' C' ' 38' ' ' PHE . 19.7 mt -64.45 -35.39 80.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.533 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -43.9 69.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.845 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -63.65 -54.77 30.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.032 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.575 HD22 HD12 ' B' ' 100' ' ' LEU . 84.9 mt -53.19 -53.69 46.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.995 0.426 . . . . 0.0 110.265 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.447 ' HD2' ' CB ' ' C' ' 32' ' ' ASN . 0.6 OUTLIER -49.62 -42.44 44.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.947 179.577 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.62 93.03 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.108 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.528 ' HB3' HD22 ' B' ' 100' ' ' LEU . 12.9 mmtt -60.2 -40.23 89.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.696 0.284 . . . . 0.0 110.997 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.687 HD23 HD21 ' B' ' 100' ' ' LEU . 19.1 mt -61.88 -50.84 70.6 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 120.876 0.369 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.48 -26.64 66.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.163 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.22 -31.34 30.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.839 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.404 ' HE2' ' HA ' ' B' ' 100' ' ' LEU . 2.2 mptt -86.53 -34.78 19.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.441 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.32 -18.39 8.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.681 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 35.5 m-20 -70.96 76.61 0.65 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 120.99 0.424 . . . . 0.0 110.076 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.62 14.15 8.94 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.985 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 91.8 m -82.62 -35.97 26.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.647 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.561 ' HB2' HD13 ' C' ' 23' ' ' LEU . 0.6 OUTLIER -86.94 -26.41 23.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.336 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . 0.447 ' CB ' ' HD2' ' C' ' 20' ' ' ARG . 2.4 m120 -45.96 -50.95 14.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.975 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -33.28 67.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.08 0.467 . . . . 0.0 110.178 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.435 ' O ' HD13 ' B' ' 84' ' ' LEU . 7.8 mmmm -68.17 -49.6 59.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.171 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.572 ' N ' HD23 ' C' ' 35' ' ' LEU . 2.2 mt -57.91 -29.46 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.803 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 39.9 m -73.58 -38.95 65.0 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.245 0.545 . . . . 0.0 109.793 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' B' ' 84' ' ' LEU . . . -69.51 -47.79 62.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.398 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.665 ' HD2' HD21 ' C' ' 16' ' ' LEU . 2.1 t80 -63.83 -37.01 85.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.002 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.481 ' HA ' HD13 ' C' ' 16' ' ' LEU . 87.7 t80 -70.15 -54.0 14.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.795 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.3 -50.53 71.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.568 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.721 HG22 ' CD2' ' C' ' 47' ' ' PHE . 91.4 m -53.09 -41.78 65.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.338 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.559 HD12 ' O ' ' C' ' 38' ' ' PHE . 0.3 OUTLIER -60.54 -37.09 80.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.876 179.224 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.69 ' HE2' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -75.07 -28.55 60.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.123 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.3 m -45.74 146.51 1.88 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.557 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.21 -48.04 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.598 2.199 . . . . 0.0 112.531 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.683 HD21 HD13 ' A' ' 60' ' ' LEU . 3.1 mm? -57.88 -55.49 34.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.721 ' CD2' HG22 ' C' ' 41' ' ' THR . 4.9 t80 -53.8 -46.58 71.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -55.63 -40.48 72.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.605 ' HB3' HD12 ' A' ' 53' ' ' LEU . 44.7 mt-30 -62.15 -41.96 98.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.1 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.803 HG12 HD21 ' A' ' 53' ' ' LEU . 25.7 mt -60.88 -53.0 55.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.758 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.703 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.5 OUTLIER -58.56 -38.23 77.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.261 179.663 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 85.5 m -53.58 -44.84 69.67 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.741 HD21 HG12 ' A' ' 50' ' ' ILE . 1.1 tp -61.67 -38.4 87.64 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.84 178.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.592 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 4.2 mm-40 -64.76 -38.52 91.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.891 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -59.23 -40.48 86.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.309 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -61.74 -53.31 57.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.19 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.9 HG12 HD13 ' A' ' 46' ' ' LEU . 29.3 mt -63.22 -34.83 69.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.49 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -42.46 99.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.048 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.99 -39.64 92.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.998 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.0 OUTLIER -54.89 -60.49 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.619 179.448 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.553 ' HA ' HD12 ' C' ' 64' ' ' LEU . 4.9 mtpt -59.37 -37.37 77.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.19 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.09 -13.74 80.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 113.154 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.82 -71.64 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.931 0.365 . . . . 0.0 111.42 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.697 HD12 ' O ' ' C' ' 60' ' ' LEU . 0.1 OUTLIER 55.69 166.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 111.161 -179.752 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . 0.403 ' C ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 N--CA 1.446 -0.649 0 CA-C-O 121.083 0.468 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . 0.47 HG23 ' O ' ' D' ' 81' ' ' VAL . 33.3 m -156.76 49.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.125 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -66.46 102.6 0.91 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.371 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.702 HG21 ' HA ' ' D' ' 129' ' ' ASN . 1.2 pt -109.4 178.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.494 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 0.681 HD23 ' HZ ' ' D' ' 125' ' ' PHE . 1.9 pt? -158.59 -2.32 0.09 Allowed 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.1 OUTLIER 58.89 143.16 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.983 0.42 . . . . 0.0 111.368 179.369 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.811 HG23 ' CG1' ' D' ' 116' ' ' VAL . 1.0 OUTLIER -70.37 -34.06 56.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.536 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -44.65 96.6 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.878 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.04 -40.95 52.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.808 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.75 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -73.28 -27.39 61.53 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.714 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.4 t80 -69.34 -48.17 62.2 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 9.8 m -64.62 -30.26 71.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 32.1 m -63.61 -51.64 64.36 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.637 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.783 ' HA ' HD12 ' D' ' 96' ' ' ILE . 0.9 OUTLIER -56.98 -39.22 74.22 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.68 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . 0.415 ' CE ' ' HA ' ' D' ' 94' ' ' LYS . 0.0 OUTLIER -59.32 -37.31 77.45 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . 0.419 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 1.1 t60 -70.86 -51.44 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' D' ' 93' ' ' LEU . 10.6 mt -52.81 -39.95 33.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.895 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.881 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.63 -49.33 75.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.778 179.646 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -83.12 -1.24 52.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.551 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . 0.403 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.6 m -101.2 -32.53 10.49 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.884 HD12 HD11 ' D' ' 109' ' ' ILE . 72.8 mt -92.24 -51.67 5.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.275 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.02 34.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.667 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -95.09 20.22 9.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.936 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 16.0 m 67.11 -70.16 0.12 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.103 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -33.45 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.19 0.519 . . . . 0.0 110.115 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.721 ' O ' HD12 ' D' ' 109' ' ' ILE . 87.7 p -70.7 -37.12 73.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.674 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.21 -37.41 87.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.903 0.382 . . . . 0.0 110.389 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -39.72 75.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.29 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.761 ' HB3' HG13 ' A' ' 15' ' ' VAL . 5.6 m-20 -70.63 -41.79 71.75 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.884 HD11 HD12 ' D' ' 100' ' ' LEU . 5.8 mt -60.24 -49.34 84.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.089 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.573 ' HA ' HD12 ' D' ' 113' ' ' LEU . 11.9 p -56.12 -35.43 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.778 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.531 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.9 -51.18 70.13 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.964 178.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.829 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.3 mt -63.57 -41.58 98.37 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 178.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.669 ' CD1' HG22 ' D' ' 109' ' ' ILE . 4.8 mt -57.76 -42.11 83.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.786 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.91 -50.06 73.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.007 0.432 . . . . 0.0 110.546 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.483 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.7 mp -60.97 -51.89 67.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.006 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.829 HG23 ' O ' ' D' ' 112' ' ' LEU . 51.7 t -57.16 -30.19 34.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.65 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.447 ' NE2' ' CE1' ' D' ' 90' ' ' PHE . 73.9 mt-30 -94.62 -9.38 35.21 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.58 153.48 39.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.699 0.285 . . . . 0.0 110.361 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -59.07 2.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 111.362 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -48.35 81.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.935 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 7.5 t80 -55.97 -55.3 34.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.566 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 2.3 mt-30 -49.7 -37.79 30.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.472 ' HB3' ' CD1' ' B' ' 127' ' ' ILE . 30.0 m-20 -64.2 -42.92 96.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.187 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.628 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -60.86 -49.38 77.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.743 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.681 ' HZ ' HD23 ' D' ' 84' ' ' LEU . 10.5 t80 -65.12 -35.93 82.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.347 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 7.7 mmtm -62.56 -38.26 89.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.36 . . . . 0.0 110.677 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 0.694 HD11 ' CD1' ' B' ' 127' ' ' ILE . 56.4 mt -67.78 -49.67 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.69 ' O ' ' HB ' ' D' ' 132' ' ' THR . 23.7 t-80 -64.27 -47.3 80.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.877 ' O ' HG23 ' D' ' 133' ' ' VAL . 3.4 t30 -54.91 -60.61 3.13 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.78 -52.26 65.84 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.882 HG21 HG21 ' C' ' 57' ' ' ILE . 68.5 mt -56.91 -43.1 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.217 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.69 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.4 OUTLIER -60.69 -46.83 88.87 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.089 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.877 HG23 ' O ' ' D' ' 129' ' ' ASN . 75.5 t -55.65 -43.71 74.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.599 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -63.31 -31.21 72.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.034 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 4.1 ttm -62.28 -49.62 74.95 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.514 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -62.64 -37.4 86.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.781 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -55.61 9.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -83.3 174.56 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.847 179.876 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.0 t30 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.542 0.21 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.08 -28.05 57.15 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.396 2.064 . . . . 0.0 112.424 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.93 -31.01 70.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.075 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.26 92.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.2 mm-40 -65.51 -39.19 91.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -62.23 -48.18 81.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.091 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.484 ' CE ' HD12 ' A' ' 13' ' ' LEU . 4.7 tpt -61.99 -45.05 95.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.676 ' NE2' HG21 ' A' ' 15' ' ' VAL . 6.4 tm0? -61.44 -35.44 77.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.536 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 8' ' ' GLU . 12.9 t -61.16 -47.61 92.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.547 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.716 ' HA ' HD12 ' A' ' 16' ' ' LEU . 13.9 mt -58.47 -44.55 89.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.263 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -28.64 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.165 0.507 . . . . 0.0 109.763 178.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.81 ' CG1' HD21 ' D' ' 112' ' ' LEU . 3.2 t -73.61 -39.86 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.055 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.716 HD12 ' HA ' ' A' ' 13' ' ' LEU . 12.8 mt -62.72 -40.6 97.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.526 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.58 -42.63 64.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.863 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -61.23 -54.7 40.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.669 HD22 HD12 ' D' ' 100' ' ' LEU . 90.1 mt -53.58 -52.69 58.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.947 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.559 ' CA ' HD12 ' A' ' 35' ' ' LEU . 4.2 tmm_? -48.87 -46.43 42.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.149 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.91 -43.56 92.63 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.173 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.661 ' HB3' HD22 ' D' ' 100' ' ' LEU . 3.3 mttm -65.76 -32.06 73.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.579 0.228 . . . . 0.0 111.397 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.769 HD23 HD21 ' D' ' 100' ' ' LEU . 20.8 mt -71.21 -50.75 29.75 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.126 0.489 . . . . 0.0 110.675 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -26.81 67.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.173 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -82.85 -34.6 26.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.459 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 1.8 mptt -80.03 -29.96 39.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.391 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.0 21.59 3.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.46 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 39.4 m-20 -116.89 78.93 1.26 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.977 0.418 . . . . 0.0 110.125 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.61 7.67 38.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.334 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.4 m -79.1 -53.58 6.86 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.162 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.652 ' HB3' HD11 ' D' ' 96' ' ' ILE . 3.3 mp0 -68.81 -13.37 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.483 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.459 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -55.04 -47.7 74.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -39.71 74.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.068 0.461 . . . . 0.0 110.086 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -57.18 -55.04 39.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.287 179.11 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.699 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.4 mt -58.94 -33.25 70.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.194 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m -76.75 -33.29 58.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.173 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.069 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -74.18 -43.38 57.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.806 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.803 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 3.1 t80 -71.47 -45.08 63.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.196 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.667 ' HA ' HD13 ' A' ' 16' ' ' LEU . 49.3 t80 -55.35 -53.16 59.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.984 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.64 -48.38 81.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.017 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.456 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 95.2 m -57.24 -42.72 81.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.803 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 5.0 mt -60.87 -35.55 76.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.126 0.489 . . . . 0.0 110.206 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 18.3 mtpt -76.77 -32.66 57.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.402 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 34.1 t -42.58 128.48 2.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.553 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 32.5 Cg_exo -58.53 -53.49 3.94 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.478 2.119 . . . . 0.0 112.09 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.731 HD11 HD11 ' C' ' 57' ' ' ILE . 0.6 OUTLIER -57.93 -49.11 77.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.31 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.949 ' CE1' HD21 ' A' ' 51' ' ' LEU . 31.2 t80 -57.78 -44.85 86.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -55.92 -35.08 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.163 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.403 HE21 HD12 ' C' ' 53' ' ' LEU . 4.4 tt0 -66.06 -40.72 91.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.153 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.698 HG12 HD21 ' C' ' 53' ' ' LEU . 3.3 mt -59.55 -47.08 92.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.571 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.949 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -65.11 -43.31 92.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.08 179.35 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.3 m -56.0 -35.03 66.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.27 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.853 HD21 HG12 ' C' ' 50' ' ' ILE . 0.6 OUTLIER -66.46 -51.03 61.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.043 179.347 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.756 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.1 OUTLIER -59.05 -42.35 90.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.165 179.318 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -34.6 73.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.173 179.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.512 ' O ' HD23 ' A' ' 60' ' ' LEU . 55.8 m -65.46 -39.47 92.03 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.918 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.655 ' CD1' HD11 ' C' ' 46' ' ' LEU . 3.0 mt -59.34 -46.2 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.092 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 5.4 mttt -63.91 -30.31 71.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.106 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -57.73 11.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.959 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.006 HD12 HD21 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -72.25 -27.51 62.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.049 0.452 . . . . 0.0 110.438 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . 24.3 mtmt -54.54 -39.76 68.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.995 0.426 . . . . 0.0 110.302 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.07 -31.14 12.41 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.834 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -132.69 51.88 2.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.808 0.337 . . . . 0.0 111.46 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.006 HD21 HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -66.31 -81.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.196 -179.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.775 0.322 . . . . 0.0 111.061 -179.702 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.737 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.977 0.417 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.737 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -174.72 49.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.113 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 143.33 29.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.819 HD11 HG22 ' B' ' 133' ' ' VAL . 0.1 OUTLIER -87.3 -160.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.636 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.819 ' CD2' HD22 ' B' ' 89' ' ' LEU . 4.9 tp -160.44 -37.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.701 0.286 . . . . 0.0 111.293 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.36 112.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.722 0.296 . . . . 0.0 110.538 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.896 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -54.74 -26.77 17.37 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.695 -179.5 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -63.07 -49.83 72.98 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.161 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -33.39 60.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.157 0.503 . . . . 0.0 109.657 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.819 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.86 -30.02 65.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.391 179.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.1 t80 -71.62 -50.91 26.33 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.843 179.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 5.8 m -60.13 -31.85 70.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.665 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . 0.815 ' O ' HD12 ' B' ' 96' ' ' ILE . 0.4 OUTLIER -61.35 -53.01 62.16 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.382 179.354 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.718 HD21 HD12 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -56.33 -35.31 67.45 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.387 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' B' ' 90' ' ' PHE . 11.2 mmmm -58.68 -44.83 90.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.704 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -66.64 -55.73 13.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.815 HD12 ' O ' ' B' ' 92' ' ' SER . 4.1 mt -51.19 -33.84 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.109 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.585 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -65.73 -49.39 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.801 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -77.1 -20.47 55.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.436 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -84.38 -35.44 23.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.072 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.676 HD12 HD11 ' B' ' 109' ' ' ILE . 85.3 mt -103.39 83.3 2.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.88 36.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.238 -178.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -91.72 16.34 10.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.034 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.41 ' HA ' ' HG3' ' B' ' 106' ' ' GLN . 1.1 t 69.03 -68.18 0.19 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.203 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -56.61 -37.62 70.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.03 0.443 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.775 ' O ' HD12 ' B' ' 109' ' ' ILE . 1.4 m -66.31 -38.14 87.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.738 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.41 ' HG3' ' HA ' ' B' ' 103' ' ' SER . 0.4 OUTLIER -63.93 -33.72 76.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.061 0.458 . . . . 0.0 110.072 179.536 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.14 -41.05 77.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.631 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.751 ' CG ' HG22 ' C' ' 15' ' ' VAL . 48.2 m-20 -70.3 -42.85 71.48 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.775 HD12 ' O ' ' B' ' 105' ' ' SER . 4.8 mt -59.91 -49.4 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.569 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.651 ' HA ' HD12 ' B' ' 113' ' ' LEU . 37.6 t -56.85 -34.44 67.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.795 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.635 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.68 -51.48 68.62 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.769 178.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.876 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.0 mt -62.76 -44.21 96.78 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' B' ' 110' ' ' SER . 8.1 mt -55.17 -40.9 71.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.807 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -61.9 -52.22 64.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.659 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' C' ' 12' ' ' VAL . 0.8 OUTLIER -61.15 -48.84 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.313 0.578 . . . . 0.0 110.077 179.377 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.896 HG13 HG12 ' B' ' 86' ' ' ILE . 52.2 t -58.39 -36.17 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.711 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 74.5 mt-30 -89.14 -9.93 49.13 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -62.1 134.68 56.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.831 0.348 . . . . 0.0 110.499 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -58.48 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.411 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.88 -50.1 75.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 111.039 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.1 t80 -55.77 -48.96 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.732 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.87 -38.17 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.462 ' O ' HG13 ' B' ' 127' ' ' ILE . 60.0 m-20 -66.56 -51.22 58.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.793 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -56.52 -49.15 75.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.39 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.615 ' CD1' HD12 ' B' ' 86' ' ' ILE . 12.0 t80 -58.65 -39.13 79.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.013 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -38.18 86.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.451 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 1.138 HD11 HD11 ' D' ' 127' ' ' ILE . 20.7 mt -62.32 -49.71 82.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.77 ' O ' ' HB ' ' B' ' 132' ' ' THR . 13.2 t-80 -65.06 -30.25 71.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.156 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.872 ' O ' HG23 ' B' ' 133' ' ' VAL . 35.1 t-20 -64.72 -61.31 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.12 -51.76 54.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.732 HD12 HG22 ' B' ' 127' ' ' ILE . 36.7 mt -53.87 -39.1 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.282 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.77 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.3 OUTLIER -63.81 -46.65 84.18 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.202 0.525 . . . . 0.0 109.603 178.672 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 129' ' ' ASN . 42.5 t -52.59 -48.19 47.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.68 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -31.04 72.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.983 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . 0.408 ' HG3' ' HG2' ' A' ' 61' ' ' LYS . 23.9 ttm -57.7 -61.74 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.926 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -60.35 -39.76 88.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -60.34 -61.97 2.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.57 146.45 40.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.06 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.954 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.512 0.196 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.8 -27.89 85.97 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.506 2.137 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.62 -29.36 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.997 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.4 -37.48 75.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.844 ' O ' HG23 ' C' ' 12' ' ' VAL . 14.3 mt-10 -64.06 -58.07 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.733 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.828 ' HE2' HD11 ' C' ' 13' ' ' LEU . 2.1 tmtt? -58.4 -42.57 87.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.528 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -45.2 95.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.139 0.495 . . . . 0.0 109.682 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.534 ' NE2' HG23 ' C' ' 15' ' ' VAL . 30.4 tp60 -66.69 -33.17 75.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.595 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.844 HG23 ' O ' ' C' ' 8' ' ' GLU . 55.5 t -59.74 -55.85 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.573 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.905 ' HA ' HD12 ' C' ' 16' ' ' LEU . 19.7 mt -55.16 -45.4 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.042 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -28.31 68.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.593 178.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.776 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.2 t -74.24 -37.75 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.99 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.905 HD12 ' HA ' ' C' ' 13' ' ' LEU . 8.3 mt -64.09 -40.17 95.65 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -70.23 -42.0 72.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.56 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -64.28 -54.16 37.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.717 HD12 HD11 ' B' ' 112' ' ' LEU . 62.3 mt -53.89 -57.46 10.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.731 ' N ' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -55.78 -30.04 60.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.76 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.58 -44.89 91.98 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.913 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.414 ' HB3' ' CD2' ' B' ' 100' ' ' LEU . 6.8 mttm -62.93 -39.95 96.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.788 0.328 . . . . 0.0 110.661 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.63 HD21 HG23 ' B' ' 96' ' ' ILE . 27.3 mt -60.11 -50.45 73.63 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.628 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.471 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -60.46 -28.35 68.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.131 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.6 -31.98 28.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.677 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.87 -29.65 29.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.229 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.99 19.82 3.9 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.695 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -113.39 82.32 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.955 0.407 . . . . 0.0 110.115 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.471 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -95.2 30.26 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.841 179.716 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 20.5 m -102.97 -40.71 6.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.769 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.685 ' HB3' HD11 ' B' ' 96' ' ' ILE . 1.1 mm-40 -85.98 -25.22 26.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.36 -37.76 38.84 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.352 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -65.29 -32.84 74.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.164 0.507 . . . . 0.0 110.028 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -70.84 -45.62 64.19 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.215 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.731 HD12 ' N ' ' C' ' 20' ' ' ARG . 1.4 mt -59.33 -32.71 70.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.149 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 48.8 m -75.67 -32.1 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.726 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.75 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -68.76 -48.23 64.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.405 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.768 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 3.8 t80 -68.08 -46.05 72.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.851 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.691 ' HA ' HD13 ' C' ' 16' ' ' LEU . 21.5 t80 -53.86 -53.42 52.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.113 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.0 -50.83 72.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.64 HG22 ' CD2' ' C' ' 47' ' ' PHE . 89.6 m -54.52 -36.97 64.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.466 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.768 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 3.4 mt -67.99 -29.53 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.166 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.781 ' HE2' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -71.29 -32.65 68.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.531 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 30.8 m -53.22 132.41 51.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.223 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.66 -32.16 12.27 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.529 2.152 . . . . 0.0 112.126 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.655 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -64.53 -55.3 21.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.116 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.779 ' CE1' HD21 ' C' ' 51' ' ' LEU . 11.7 t80 -55.81 -42.78 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.314 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -41.86 75.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.704 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.92 -41.52 96.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.479 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.853 HG12 HD21 ' A' ' 53' ' ' LEU . 9.4 mt -59.05 -46.3 91.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.899 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.779 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.14 -36.61 83.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.426 179.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.1 m -53.99 -50.26 66.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.179 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.698 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -60.38 -44.93 95.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.906 178.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.622 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -59.11 -33.9 71.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.072 179.249 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -37.61 85.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.099 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -60.38 -50.36 73.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.069 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.788 ' CG2' HG21 ' D' ' 131' ' ' ILE . 56.5 mt -59.91 -34.71 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.118 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -57.81 -43.84 85.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.062 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -63.32 -40.19 96.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.24 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' C' ' 57' ' ' ILE . 2.6 mt -53.79 -47.04 71.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.764 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.427 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 8.1 mtpt -61.8 -50.73 71.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.2 -26.57 58.97 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.569 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.63 -44.41 13.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 110.809 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 66.3 mt -70.07 126.99 31.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . 0.733 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.746 0.308 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . 0.733 HG13 ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER -170.58 63.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -86.56 149.42 24.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.75 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.713 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.2 OUTLIER -94.85 -41.74 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.837 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 1.069 HD13 ' HB3' ' A' ' 37' ' ' ALA . 31.3 tp 74.87 -51.44 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.721 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 61.37 112.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 1.002 HG12 HG13 ' D' ' 116' ' ' VAL . 1.0 OUTLIER -55.22 -25.74 17.29 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.071 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.69 -46.17 86.69 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.359 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.12 -34.63 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.84 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.736 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.11 -29.69 64.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.233 179.401 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 42.3 t80 -72.57 -50.19 27.21 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.107 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.6 m -61.3 -31.09 70.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.619 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . 0.417 ' CB ' ' HG2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -64.1 -51.62 63.1 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.758 179.467 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.762 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.8 OUTLIER -55.81 -37.81 69.15 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . 0.401 ' NZ ' HD22 ' D' ' 113' ' ' LEU . 4.9 mmtt -59.35 -41.79 90.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.6 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -67.58 -53.63 26.63 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.766 HG23 HD21 ' A' ' 23' ' ' LEU . 9.5 mt -51.03 -41.05 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.81 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.856 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -60.46 -53.16 60.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.039 179.693 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -80.03 -2.97 46.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.02 0.438 . . . . 0.0 110.48 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . 0.435 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.6 m -97.1 -33.61 11.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.618 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.769 HD21 HD23 ' A' ' 23' ' ' LEU . 13.5 mt -87.16 -48.95 7.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.852 0.358 . . . . 0.0 110.433 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . 0.4 ' HA ' ' OE1' ' D' ' 106' ' ' GLN . 0.0 OUTLIER 41.12 35.8 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.759 179.248 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . 0.406 ' HB2' ' HB2' ' D' ' 105' ' ' SER . 0.2 OUTLIER -98.65 19.05 15.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.654 179.623 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 27.2 t 66.21 -70.92 0.1 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' D' ' 105' ' ' SER . 0.0 OUTLIER -61.74 -30.15 70.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.061 0.458 . . . . 0.0 109.944 179.595 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.804 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.6 OUTLIER -70.46 -39.91 73.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.974 179.226 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' D' ' 101' ' ' VAL . 0.8 OUTLIER -62.93 -33.62 75.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.165 0.507 . . . . 0.0 109.803 179.275 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.57 -42.89 73.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.851 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.725 ' HB3' HG13 ' A' ' 15' ' ' VAL . 17.1 m-20 -70.94 -40.76 71.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.856 HD13 ' HA ' ' D' ' 97' ' ' GLN . 4.9 mt -61.75 -49.21 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.263 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.659 ' HA ' HD12 ' D' ' 113' ' ' LEU . 16.1 m -55.98 -36.12 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.061 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.465 HD23 HG22 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -58.02 -51.33 70.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.229 179.064 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.865 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 mt -60.24 -42.61 95.62 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' D' ' 110' ' ' SER . 3.9 mt -57.43 -49.88 74.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.631 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -60.99 -42.47 98.46 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.261 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.753 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.9 mp -61.88 -41.42 97.85 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 1.002 HG13 HG12 ' D' ' 86' ' ' ILE . 86.3 t -62.21 -53.22 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.407 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.0 OUTLIER -65.93 -19.28 65.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.079 -179.318 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . 0.418 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.4 OUTLIER -53.64 127.83 26.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.731 0.3 . . . . 0.0 110.8 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -56.87 -58.77 6.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.602 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' D' ' 123' ' ' ASN . 0.7 OUTLIER -56.99 -46.22 82.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 0.0 110.937 -179.705 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.455 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 8.4 t80 -58.97 -56.07 27.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . 0.459 ' CG ' HD13 ' D' ' 86' ' ' ILE . 0.8 OUTLIER -54.68 -31.83 58.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.8 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.478 ' HB3' HG12 ' B' ' 127' ' ' ILE . 0.6 OUTLIER -61.26 -51.45 68.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.659 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.935 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -64.08 -49.2 73.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.994 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.79 ' CD1' HD12 ' D' ' 86' ' ' ILE . 39.5 t80 -57.85 -34.67 69.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -41.19 80.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 1.138 HD11 HD11 ' B' ' 127' ' ' ILE . 7.7 mt -59.16 -49.9 81.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.987 0.423 . . . . 0.0 111.003 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.628 ' O ' ' HB ' ' D' ' 132' ' ' THR . 13.1 t-80 -64.32 -46.19 84.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.093 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.928 ' O ' HG23 ' D' ' 133' ' ' VAL . 1.7 m-80 -55.62 -60.28 3.66 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.02 -51.04 71.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.788 HG21 ' CG2' ' C' ' 57' ' ' ILE . 93.4 mt -58.04 -47.75 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.283 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.713 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -56.92 -45.28 82.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.222 0.534 . . . . 0.0 109.906 179.413 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.928 HG23 ' O ' ' D' ' 129' ' ' ASN . 92.5 t -53.71 -50.9 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.379 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -30.86 71.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.24 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 29.5 ttm -55.62 -53.6 54.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -72.21 -30.36 64.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.027 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -82.07 -79.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.93 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -75.76 -177.23 3.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.9 0.381 . . . . 0.0 111.039 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.896 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.612 0.244 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.69 -30.06 42.36 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.602 2.201 . . . . 0.0 112.433 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.62 86.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.86 -40.31 97.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.682 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.7 mt-10 -68.01 -45.77 73.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 11.7 tttm -62.55 -48.1 80.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.742 ' CE ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -60.72 -38.2 84.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.697 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.3 tp60 -69.25 -38.28 78.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 8' ' ' GLU . 17.9 t -59.24 -49.37 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.023 178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.742 HD12 ' CE ' ' A' ' 10' ' ' MET . 9.2 mt -56.96 -51.86 67.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.613 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -64.68 -28.3 69.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.917 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.865 HG11 HD21 ' D' ' 112' ' ' LEU . 8.3 t -73.38 -36.84 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.994 179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.739 HD13 ' HA ' ' A' ' 39' ' ' TYR . 13.1 mt -64.39 -43.02 95.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -69.08 -43.57 74.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.724 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -61.2 -54.48 43.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.206 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.781 HD12 HD11 ' D' ' 112' ' ' LEU . 80.8 mt -54.35 -57.27 11.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.035 0.445 . . . . 0.0 110.963 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.724 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -54.1 -30.15 47.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.062 -179.648 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.88 -45.82 79.9 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.156 -1.021 . . . . 0.0 111.405 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -58.72 -38.9 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.603 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 31' ' ' GLN . 19.7 mt -64.93 -47.27 78.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.276 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -58.49 -27.52 64.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.146 179.2 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -82.93 -35.61 25.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.134 0.493 . . . . 0.0 110.37 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.74 -31.26 46.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.49 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.91 21.07 4.69 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.522 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -113.01 80.21 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.053 0.454 . . . . 0.0 110.053 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.424 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -89.97 9.08 29.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.224 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 m -85.2 -43.73 13.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.623 ' HB2' HD13 ' A' ' 23' ' ' LEU . 3.7 mp0 -75.52 -25.95 57.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.659 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.403 ' ND2' ' HG2' ' A' ' 24' ' ' GLN . 94.8 m-20 -55.54 -38.28 69.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.659 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -32.9 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.421 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -74.88 -38.97 61.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.335 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.724 HD12 ' N ' ' A' ' 20' ' ' ARG . 1.4 mt -67.82 -34.69 77.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.484 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -77.1 -29.84 55.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.046 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.849 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -74.4 -44.22 52.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.643 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.705 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 6.5 t80 -73.55 -45.59 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.172 0.51 . . . . 0.0 110.408 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.739 ' HA ' HD13 ' A' ' 16' ' ' LEU . 1.1 t80 -57.1 -53.94 52.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.862 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -59.07 -50.14 75.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.502 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.738 HG22 ' CD2' ' A' ' 47' ' ' PHE . 88.5 m -56.08 -37.31 69.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.056 0.455 . . . . 0.0 110.087 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.705 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -62.9 -32.93 74.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.128 179.098 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HE2' ' CD1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -71.62 -33.83 69.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.653 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.93 135.12 8.36 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.345 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.51 -42.68 2.47 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.616 2.21 . . . . 0.0 112.141 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.729 HD11 HD13 ' C' ' 57' ' ' ILE . 0.2 OUTLIER -58.29 -55.56 33.37 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.159 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.762 ' CE1' HD21 ' A' ' 51' ' ' LEU . 9.2 t80 -58.86 -39.82 82.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.972 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.21 -42.95 78.02 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.343 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.541 ' O ' HG22 ' A' ' 52' ' ' THR . 4.1 tt0 -61.03 -36.9 80.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.197 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.77 HG12 HD21 ' C' ' 53' ' ' LEU . 14.9 mt -64.62 -41.24 91.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.026 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.762 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -74.26 -45.17 49.51 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.497 -179.699 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 49' ' ' GLN . 2.8 t -54.24 -41.42 68.73 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.116 0.484 . . . . 0.0 110.008 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.848 HD21 HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -64.08 -49.72 71.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.759 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.511 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -58.94 -34.61 71.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.285 179.177 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -62.82 -40.04 96.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.042 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -42.74 98.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.652 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.849 ' CG2' HG21 ' B' ' 131' ' ' ILE . 2.1 mt -60.38 -36.46 69.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.213 179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -60.48 -44.23 96.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.884 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -59.49 -39.5 83.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.119 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.7 mt -57.65 -45.48 85.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.507 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.468 ' CE ' HG23 ' B' ' 131' ' ' ILE . 9.4 mtpt -58.47 -48.36 81.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.67 -45.71 95.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.651 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.44 -52.08 55.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 111.013 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.53 -174.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.751 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.719 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.928 0.394 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.856 HG21 ' HB2' ' B' ' 136' ' ' ASN . 0.0 OUTLIER -179.43 -66.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.941 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.402 ' H ' HG23 ' B' ' 81' ' ' VAL . 0.0 OUTLIER 57.81 109.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.118 179.811 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.888 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.4 OUTLIER -91.62 -167.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.623 179.813 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.847 HD13 ' HB3' ' C' ' 37' ' ' ALA . 22.1 tp -142.92 -38.44 0.35 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.53 108.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.717 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.879 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -52.64 -26.92 11.03 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.701 -179.436 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -64.43 -43.02 95.64 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.554 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . 0.407 ' HB3' ' NZ ' ' C' ' 34' ' ' LYS . 0.9 OUTLIER -80.51 -35.63 34.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.9 178.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.785 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -72.01 -31.43 66.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.296 179.475 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.481 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 13.3 t80 -72.85 -50.47 23.8 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.076 0.465 . . . . 0.0 110.196 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -30.95 71.05 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . 0.439 ' OG ' ' HG3' ' C' ' 34' ' ' LYS . 35.6 m -63.61 -51.17 66.44 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.526 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.768 HD13 ' HB2' ' B' ' 112' ' ' LEU . 1.0 OUTLIER -55.42 -38.13 68.56 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.505 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.444 ' HE2' ' CE1' ' B' ' 90' ' ' PHE . 2.4 mptp? -59.13 -40.07 84.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.345 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.424 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.1 t60 -69.1 -51.97 33.16 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' B' ' 93' ' ' LEU . 10.7 mt -51.7 -40.51 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.911 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.899 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -61.01 -52.21 65.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.078 179.674 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -80.42 -4.68 54.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.999 0.428 . . . . 0.0 110.456 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.9 m -96.79 -31.84 12.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.418 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.85 HD12 HD11 ' B' ' 109' ' ' ILE . 43.5 mt -92.15 -52.87 4.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.235 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.65 35.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.756 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -97.84 21.6 10.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 29.3 t 66.32 -71.19 0.09 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -32.41 70.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.218 0.532 . . . . 0.0 110.13 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.779 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -69.83 -38.79 76.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.544 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -36.87 85.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.094 0.473 . . . . 0.0 110.277 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.89 -40.51 79.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.463 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.817 ' HB3' HG13 ' C' ' 15' ' ' VAL . 13.2 m-20 -70.49 -43.43 69.73 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.899 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.6 mt -59.38 -49.26 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.504 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.641 ' HA ' HD12 ' B' ' 113' ' ' LEU . 3.6 t -57.05 -34.62 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.907 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.594 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.71 -51.4 68.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.895 178.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.844 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.7 mt -63.58 -42.61 98.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' B' ' 110' ' ' SER . 6.2 mt -56.45 -42.39 78.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.662 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -62.49 -52.13 64.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.494 ' CD2' HG21 ' C' ' 12' ' ' VAL . 2.2 mp -58.83 -50.74 72.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.241 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.879 HG13 HG12 ' B' ' 86' ' ' ILE . 58.8 t -55.79 -38.26 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.542 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -87.71 -8.15 56.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.894 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 1.3 t-20 -63.41 135.28 56.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.707 0.289 . . . . 0.0 110.645 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -56.43 -58.86 6.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.397 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.12 -47.38 86.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.261 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 11.0 t80 -56.35 -56.29 22.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.952 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -54.61 -33.66 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.401 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.7 OUTLIER -61.68 -51.11 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 0.0 110.667 179.706 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.893 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -60.15 -43.19 95.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.782 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.6 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 2.2 t80 -63.12 -38.72 92.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -62.01 -37.82 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.343 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 1.063 HD11 HD11 ' D' ' 127' ' ' ILE . 11.8 mt -64.03 -49.74 80.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.735 ' O ' ' HB ' ' B' ' 132' ' ' THR . 27.8 t-80 -67.14 -44.07 80.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.126 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.884 ' O ' HG23 ' B' ' 133' ' ' VAL . 0.8 OUTLIER -55.22 -59.07 5.29 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.15 -51.91 64.56 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.849 HG21 ' CG2' ' A' ' 57' ' ' ILE . 82.3 mt -57.58 -43.52 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.2 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.888 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.5 OUTLIER -59.46 -46.16 89.57 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.249 0.547 . . . . 0.0 109.589 179.057 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.884 HG23 ' O ' ' B' ' 129' ' ' ASN . 97.8 t -54.84 -46.43 75.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.257 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . 0.444 ' CE1' ' HG2' ' D' ' 119' ' ' LYS . 3.2 m170 -63.47 -33.58 75.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.935 178.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 4.4 ttm -58.89 -41.44 87.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.395 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . 0.856 ' HB2' HG21 ' B' ' 81' ' ' VAL . 29.9 t30 -74.21 -34.27 63.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.739 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -31.0 61.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 60.73 88.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.959 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . 0.631 ' OD1' ' HB3' ' C' ' 6' ' ' ALA . 27.3 t-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.597 0.237 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.05 -28.48 57.2 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.495 2.13 . . . . 0.0 112.41 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . 0.631 ' HB3' ' OD1' ' C' ' 4' ' ' ASN . . . -70.74 -31.38 68.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.057 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.58 92.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.817 ' O ' HG23 ' C' ' 12' ' ' VAL . 4.9 mm-40 -61.64 -50.05 74.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.817 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.9 ttpt -59.76 -43.71 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.624 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -46.82 89.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.048 0.452 . . . . 0.0 109.914 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.571 ' O ' HG23 ' C' ' 15' ' ' VAL . 31.0 tp60 -64.99 -35.99 82.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.535 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.817 HG23 ' O ' ' C' ' 8' ' ' GLU . 41.0 t -59.24 -56.05 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.685 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.74 ' HA ' HD12 ' C' ' 16' ' ' LEU . 14.9 mt -54.57 -41.01 69.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.142 0.496 . . . . 0.0 110.178 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -28.28 65.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.818 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.817 HG13 ' HB3' ' B' ' 108' ' ' ASP . 3.9 t -73.74 -40.13 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.959 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' C' ' 13' ' ' LEU . 7.9 mt -64.51 -40.63 96.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.991 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.82 -41.41 75.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -66.6 -53.83 30.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.615 HD12 HD11 ' B' ' 112' ' ' LEU . 66.7 mt -54.61 -57.44 11.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 0.0 110.748 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.742 ' N ' HD12 ' C' ' 35' ' ' LEU . 0.5 OUTLIER -54.77 -31.96 59.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.803 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.58 -47.33 85.0 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.829 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.57 ' HB3' HD22 ' B' ' 100' ' ' LEU . 2.0 mttm -60.79 -34.9 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.6 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' C' ' 20' ' ' ARG . 21.2 mt -65.05 -49.92 68.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.95 0.405 . . . . 0.0 110.322 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.537 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.3 OUTLIER -58.13 -27.92 64.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.122 179.189 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.26 -31.98 29.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.512 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.438 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.0 OUTLIER -80.65 -32.06 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.157 -179.788 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.06 21.12 4.62 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 12.7 m-20 -117.54 82.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.981 0.419 . . . . 0.0 110.102 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.537 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -90.38 9.87 27.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.108 179.681 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 52.7 m -78.49 -52.01 9.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.458 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.424 ' HG2' ' CD2' ' B' ' 95' ' ' HIS . 3.5 mp0 -73.53 -24.97 60.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.498 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -52.1 -42.07 62.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.521 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.51 -32.91 67.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.288 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.439 ' HG3' ' OG ' ' B' ' 92' ' ' SER . 25.2 mmmt -70.75 -41.84 71.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.315 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.742 HD12 ' N ' ' C' ' 20' ' ' ARG . 1.3 mt -66.21 -31.87 72.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.268 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -33.13 56.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.85 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.847 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.73 -45.41 58.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.459 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.764 ' CZ ' HD11 ' C' ' 42' ' ' LEU . 2.5 t80 -68.88 -49.5 57.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.323 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.643 ' HA ' HD13 ' C' ' 16' ' ' LEU . 38.4 t80 -53.87 -53.72 48.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.433 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 1.9 mt-10 -59.95 -43.96 94.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.782 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 85.1 m -59.91 -41.58 92.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.599 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.764 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 6.2 mt -61.18 -34.38 74.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.391 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.477 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.4 OUTLIER -72.38 -31.01 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.817 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . 0.437 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 1.6 m -47.6 129.3 10.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.265 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 27.4 Cg_exo -60.41 -46.33 18.37 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.294 1.996 . . . . 0.0 111.679 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.784 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.1 OUTLIER -57.64 -53.43 58.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.346 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.926 ' CE1' HD21 ' C' ' 51' ' ' LEU . 19.8 t80 -56.92 -45.52 82.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.604 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.71 -34.65 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.4 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 34.3 mt-30 -67.99 -39.21 83.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.364 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.848 HG12 HD21 ' A' ' 53' ' ' LEU . 3.0 mt -63.53 -44.63 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.074 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.926 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.4 OUTLIER -69.46 -41.84 75.67 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.7 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -53.7 -48.83 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.014 0.435 . . . . 0.0 110.431 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.77 HD21 HG12 ' A' ' 50' ' ' ILE . 1.5 tt -59.12 -51.69 68.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.198 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.615 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -61.35 -30.84 70.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.42 179.545 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -39.54 94.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.019 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 30.4 t -65.77 -43.35 89.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.829 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.729 HD13 HD11 ' A' ' 46' ' ' LEU . 3.3 mt -60.35 -43.03 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.393 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . 0.422 ' HG2' ' HZ3' ' C' ' 61' ' ' LYS . 0.1 OUTLIER -59.26 -39.5 83.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.184 179.28 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -61.09 -40.68 94.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.271 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.7 OUTLIER -57.52 -48.72 78.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.489 179.597 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.437 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 1.7 mtpt -55.59 -59.58 4.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.06 -53.27 45.86 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.727 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -58.9 -37.04 75.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.765 0.316 . . . . 0.0 111.051 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 46.2 mt -83.36 131.35 35.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.734 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.941 0.401 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . 0.438 HG23 ' CD1' ' D' ' 83' ' ' ILE . 29.8 m -135.33 -7.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.192 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.7 101.78 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.817 0.341 . . . . 0.0 111.269 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.828 HD12 ' CG2' ' D' ' 132' ' ' THR . 1.1 mm -84.79 -33.47 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 0.849 HD13 ' HB3' ' A' ' 37' ' ' ALA . 16.5 tp 70.25 -52.73 0.64 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.119 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.46 113.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.949 HG12 HG13 ' D' ' 116' ' ' VAL . 1.1 mt -53.65 -25.06 10.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.54 -45.9 85.15 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.285 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -78.57 -35.07 46.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.792 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.1 OUTLIER -72.27 -30.81 65.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.468 179.553 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 12.1 t80 -72.46 -48.21 42.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 0.0 109.848 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -30.1 70.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.612 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . 0.799 ' O ' HD12 ' D' ' 96' ' ' ILE . 0.3 OUTLIER -63.72 -53.47 50.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.408 179.373 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.716 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -56.4 -35.89 68.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -58.93 -44.98 91.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.667 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . 0.434 ' CD2' ' HG2' ' A' ' 31' ' ' GLN . 2.2 t60 -66.68 -55.63 14.27 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.799 HD12 ' O ' ' D' ' 92' ' ' SER . 4.3 mt -50.67 -33.5 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.956 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.583 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -65.32 -47.37 76.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.832 179.658 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -21.06 45.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.041 0.448 . . . . 0.0 110.478 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . 0.402 ' HG1' ' CE1' ' D' ' 95' ' ' HIS . 1.4 m -84.67 -33.97 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.175 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.631 HD12 HD11 ' D' ' 109' ' ' ILE . 48.9 mt -104.37 85.04 2.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.68 0.752 . . . . 0.0 109.238 178.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.1 36.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 114.409 -1.268 . . . . 0.0 111.16 -178.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.15 12.42 20.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.922 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 7.5 t 72.4 -68.29 0.23 Allowed 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.328 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' D' ' 107' ' ' GLU . 59.6 tp60 -60.93 -31.3 70.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.193 0.52 . . . . 0.0 110.072 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.516 ' O ' HD12 ' D' ' 109' ' ' ILE . 16.4 m -73.32 -47.64 40.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.468 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -65.75 -30.74 71.45 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.715 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' D' ' 104' ' ' GLN . 4.1 pt-20 -72.87 -36.82 67.46 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.688 ' HB3' HG13 ' A' ' 15' ' ' VAL . 15.9 m-20 -70.73 -40.99 72.43 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.687 ' CD1' HG22 ' D' ' 96' ' ' ILE . 5.9 mt -61.13 -49.44 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 114.942 -1.027 . . . . 0.0 109.652 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.601 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.2 m -54.55 -38.14 66.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.258 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.483 HD23 HD23 ' D' ' 112' ' ' LEU . 6.4 tt -59.83 -44.75 93.89 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.826 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.865 HD21 HG11 ' A' ' 15' ' ' VAL . 3.1 mt -63.8 -41.39 97.91 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.608 ' CD1' HG22 ' D' ' 109' ' ' ILE . 2.8 mt -60.0 -42.75 94.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.439 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . 0.547 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -61.8 -36.76 82.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.895 179.512 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.605 ' CD2' HG21 ' A' ' 12' ' ' VAL . 5.1 mp -70.73 -47.46 59.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.453 0.644 . . . . 0.0 109.837 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.949 HG13 HG12 ' D' ' 86' ' ' ILE . 58.8 t -62.08 -37.4 78.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.573 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.452 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 52.1 mt-30 -84.59 -17.93 37.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.391 -179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.43 143.54 19.02 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.813 0.339 . . . . 0.0 110.528 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . 0.444 ' HG2' ' CE1' ' B' ' 134' ' ' HIS . 0.0 OUTLIER -67.52 -58.45 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.301 -179.508 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.29 -50.01 74.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.722 0.296 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 10.8 t80 -55.82 -51.65 66.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.545 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -51.94 -35.89 47.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.672 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.454 ' O ' HG13 ' D' ' 127' ' ' ILE . 21.3 m-20 -68.25 -50.27 55.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.799 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.89 -49.45 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.043 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.663 ' CD1' HD12 ' D' ' 86' ' ' ILE . 15.3 t80 -63.45 -34.53 77.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.718 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -37.1 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 1.063 HD11 HD11 ' B' ' 127' ' ' ILE . 11.9 mt -64.73 -49.99 77.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.105 0.478 . . . . 0.0 110.519 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.802 ' O ' ' HB ' ' D' ' 132' ' ' THR . 42.0 t-80 -65.4 -41.39 93.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.837 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.868 ' O ' HG23 ' D' ' 133' ' ' VAL . 12.2 t-20 -55.26 -60.43 3.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.016 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.12 -51.21 62.65 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.693 HD12 HG22 ' D' ' 127' ' ' ILE . 60.4 mt -57.81 -39.68 72.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.769 -0.196 . . . . 0.0 111.154 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.828 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -61.81 -45.24 94.72 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.868 HG23 ' O ' ' D' ' 129' ' ' ASN . 98.6 t -54.44 -49.21 66.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.533 179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -33.12 74.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.925 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -45.04 96.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.434 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -65.25 -38.44 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.619 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.16 -73.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.801 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 58.5 96.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.065 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.911 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.568 0.223 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.96 -27.32 35.12 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.605 2.203 . . . . 0.0 112.27 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.53 -30.41 70.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.38 -41.27 84.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.803 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.9 mt-10 -68.07 -56.59 8.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.748 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.7 -41.13 73.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.504 ' HA ' ' HE2' ' A' ' 10' ' ' MET . 11.2 tpp -61.6 -47.69 84.31 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 15' ' ' VAL . 26.4 tp60 -61.93 -37.69 85.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 8' ' ' GLU . 71.1 t -57.23 -50.31 77.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.341 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.916 HD13 ' NZ ' ' A' ' 43' ' ' LYS . 11.9 mt -53.11 -50.82 63.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.35 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 6.5 tp60 -65.66 -28.04 68.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.863 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.826 ' CG1' HD21 ' D' ' 112' ' ' LEU . 5.1 t -72.46 -36.19 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.044 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.62 HD11 HD12 ' A' ' 42' ' ' LEU . 45.6 mt -64.05 -44.85 91.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.317 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.35 -38.51 74.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -54.68 32.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.914 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.536 HD12 HD11 ' D' ' 112' ' ' LEU . 75.3 mt -54.9 -55.38 31.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.049 0.452 . . . . 0.0 110.031 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.713 ' HB2' HD12 ' A' ' 35' ' ' LEU . 5.6 tmm_? -50.27 -42.45 52.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.038 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.09 -46.25 85.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.563 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 8.1 mmmt -63.0 -31.82 73.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.793 0.33 . . . . 0.0 111.016 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.694 HD21 HG23 ' D' ' 96' ' ' ILE . 26.0 mt -71.95 -50.08 32.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.998 0.428 . . . . 0.0 110.791 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -26.49 66.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.224 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -82.92 -39.88 20.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.27 0.557 . . . . 0.0 109.973 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 1.6 mptt -70.87 -30.72 67.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.192 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.22 23.56 4.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 15.8 m-20 -120.41 81.52 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.0 0.428 . . . . 0.0 110.151 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.2 10.18 30.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.399 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.481 HG22 HE21 ' A' ' 31' ' ' GLN . 3.6 m -80.78 -48.89 11.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.039 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.586 ' HB2' HD13 ' A' ' 23' ' ' LEU . 2.0 mm-40 -67.22 -24.82 65.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.894 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -44.68 -50.2 10.02 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.927 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -34.6 67.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.528 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -68.05 -39.77 82.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.235 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.713 HD12 ' HB2' ' A' ' 20' ' ' ARG . 1.9 mt -70.9 -41.25 71.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.049 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.6 p -69.87 -36.15 75.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.462 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.034 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -61.61 -45.99 91.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.517 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.673 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 4.4 t80 -70.66 -38.01 73.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.015 178.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.566 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 1.6 t80 -53.38 -53.43 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.125 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -52.28 56.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.418 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.452 HG22 ' CD2' ' A' ' 47' ' ' PHE . 97.6 m -56.95 -33.4 66.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.0 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.673 HD11 ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -67.44 -41.67 84.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.864 0.364 . . . . 0.0 110.41 179.507 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.916 ' NZ ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.33 -24.16 62.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 t -45.73 119.0 4.46 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.349 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.42 -51.81 7.68 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.399 2.066 . . . . 0.0 111.796 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.712 HD11 HD11 ' C' ' 57' ' ' ILE . 0.8 OUTLIER -57.95 -46.11 85.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.179 179.63 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CD2' HG22 ' A' ' 41' ' ' THR . 12.5 t80 -57.86 -46.15 85.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.347 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -56.0 -36.11 67.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.241 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -64.38 -41.06 96.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.191 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.814 HG12 HD21 ' C' ' 53' ' ' LEU . 4.3 mt -59.76 -43.01 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.574 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -69.12 -39.67 78.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.292 179.534 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.1 m -55.09 -45.7 75.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.323 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.864 HD21 HG12 ' C' ' 50' ' ' ILE . 0.6 OUTLIER -62.26 -49.89 73.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.051 179.216 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.484 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.4 OUTLIER -58.86 -32.21 69.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.441 179.459 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -65.64 -41.33 92.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.314 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m -61.18 -44.03 97.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.075 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.698 ' HA ' HD12 ' A' ' 60' ' ' LEU . 16.8 mt -61.42 -35.13 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.047 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.25 -42.48 98.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.883 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -39.03 90.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.98 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.0 OUTLIER -58.05 -42.04 84.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.374 179.253 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HA ' ' HG3' ' B' ' 135' ' ' MET . 12.1 mtmt -61.12 -56.41 21.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.801 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.26 -26.58 67.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.569 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -85.9 -30.36 22.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -86.56 85.01 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.968 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.719 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.777 0.322 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.719 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -169.87 47.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.079 0.466 . . . . 0.0 111.124 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.63 144.73 25.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.052 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.77 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -94.06 -172.43 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.337 0.589 . . . . 0.0 111.259 -179.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 1.005 HD13 ' HB3' ' C' ' 37' ' ' ALA . 3.9 tp -172.31 52.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.241 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 84' ' ' LEU . 2.6 mm-40 -36.17 121.52 0.69 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.708 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.934 HG12 HG13 ' B' ' 116' ' ' VAL . 0.7 OUTLIER -49.28 -24.59 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.781 -178.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.38 -45.89 91.13 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -36.52 51.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.998 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.732 HD12 HD21 ' B' ' 93' ' ' LEU . 0.1 OUTLIER -72.17 -28.75 63.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.491 179.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 12.0 t80 -72.53 -48.81 37.35 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 4.8 m -62.61 -29.36 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.456 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . 0.837 ' O ' HD12 ' B' ' 96' ' ' ILE . 74.6 m -63.4 -53.25 55.39 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.391 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.732 HD21 HD12 ' B' ' 89' ' ' LEU . 0.6 OUTLIER -57.03 -35.67 69.57 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.168 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.471 ' HA ' ' HG2' ' B' ' 97' ' ' GLN . 31.8 mmtt -59.84 -38.8 83.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.608 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.408 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 2.0 t60 -72.36 -54.1 10.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.837 HD12 ' O ' ' B' ' 92' ' ' SER . 3.7 mt -53.33 -35.03 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.76 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.928 ' HA ' HD13 ' B' ' 109' ' ' ILE . 2.2 pt20 -70.69 -38.11 73.66 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.327 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.466 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.6 OUTLIER -82.39 -20.44 37.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.212 179.013 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -85.74 -40.03 16.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.893 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.71 HD23 ' HE2' ' C' ' 26' ' ' LYS . 54.4 mt -96.97 85.82 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.47 35.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.464 -178.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.61 15.51 12.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.002 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.99 -67.47 0.21 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.786 0.326 . . . . 0.0 111.19 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -35.29 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.739 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.5 OUTLIER -67.94 -39.67 83.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.981 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.02 -35.48 80.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.976 0.417 . . . . 0.0 110.365 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -41.56 77.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.709 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.744 ' HB3' HG13 ' C' ' 15' ' ' VAL . 38.4 m-20 -70.24 -42.87 71.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.928 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.7 mt -59.34 -49.39 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.404 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.62 ' HA ' HD12 ' B' ' 113' ' ' LEU . 7.4 m -55.49 -35.92 66.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.879 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.771 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.39 -51.31 68.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.811 178.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.822 ' O ' HG23 ' B' ' 116' ' ' VAL . 3.1 mt -62.47 -41.72 98.97 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.395 178.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.635 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.4 mt -58.16 -39.58 79.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.564 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.26 -51.89 67.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.008 0.433 . . . . 0.0 110.287 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.698 HD21 HG21 ' C' ' 12' ' ' VAL . 1.0 OUTLIER -61.37 -49.28 77.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.937 179.192 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.934 HG13 HG12 ' B' ' 86' ' ' ILE . 57.5 t -58.97 -34.92 54.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.457 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 44.1 mt-30 -89.27 -9.66 49.82 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 1.2 m-20 -58.91 151.24 22.19 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.758 0.313 . . . . 0.0 110.677 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -58.83 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.343 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -44.91 94.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.786 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.452 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 9.2 t80 -55.93 -53.46 56.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.558 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -53.02 -42.31 65.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.421 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.6 OUTLIER -60.16 -51.19 70.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.953 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.93 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -57.58 -49.06 77.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.078 0.466 . . . . 0.0 110.937 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.455 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 4.8 t80 -59.3 -36.8 76.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.26 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -65.01 -39.28 93.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.661 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 1.028 HD11 HD11 ' D' ' 127' ' ' ILE . 11.4 mt -60.33 -49.65 83.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 CA-C-O 121.149 0.5 . . . . 0.0 110.348 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.794 ' O ' ' HB ' ' B' ' 132' ' ' THR . 24.0 t-80 -60.24 -42.82 96.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.046 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.908 ' O ' HG23 ' B' ' 133' ' ' VAL . 74.4 m-20 -54.99 -60.77 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . 0.487 ' HB1' ' HG2' ' D' ' 119' ' ' LYS . . . -62.87 -51.65 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.756 HD12 HG22 ' B' ' 127' ' ' ILE . 53.2 mt -59.12 -38.6 75.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.396 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.794 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.4 OUTLIER -65.64 -47.39 75.72 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.294 0.568 . . . . 0.0 109.542 178.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.908 HG23 ' O ' ' B' ' 129' ' ' ASN . 99.0 t -52.93 -51.1 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.459 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -63.36 -30.89 71.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.048 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . 0.427 ' HG3' ' HA ' ' A' ' 61' ' ' LYS . 29.7 ttm -54.62 -60.03 3.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.985 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -70.66 -30.75 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -76.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -71.44 -169.94 0.46 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 64.4 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.926 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 61.8 t30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.589 0.233 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -63.98 -28.33 66.42 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.535 2.156 . . . . 0.0 112.314 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.9 67.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.19 -32.14 69.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.8 ' O ' HG23 ' C' ' 12' ' ' VAL . 3.1 mm-40 -66.85 -58.23 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.2 OUTLIER -56.65 -42.3 78.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.633 179.694 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -44.09 97.66 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.585 ' NE2' HG23 ' C' ' 15' ' ' VAL . 30.8 tp60 -67.87 -32.07 72.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.638 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.8 HG23 ' O ' ' C' ' 8' ' ' GLU . 55.4 t -61.53 -56.06 20.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.589 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.848 ' HA ' HD12 ' C' ' 16' ' ' LEU . 18.5 mt -55.86 -42.48 75.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.137 0.494 . . . . 0.0 109.895 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -28.5 67.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.433 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.78 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.0 t -74.11 -37.88 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.93 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.848 HD12 ' HA ' ' C' ' 13' ' ' LEU . 11.2 mt -64.3 -40.52 96.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.761 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -41.45 77.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.532 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -54.28 27.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.644 HD12 HD11 ' B' ' 112' ' ' LEU . 68.6 mt -52.56 -57.06 11.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 0.0 110.37 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.658 ' CA ' HD12 ' C' ' 35' ' ' LEU . 5.4 tmm_? -50.9 -39.22 53.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.019 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.95 -45.38 95.21 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.98 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.589 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.9 mtpp -63.69 -32.56 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.658 0.266 . . . . 0.0 110.803 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.662 HD23 HD21 ' B' ' 100' ' ' LEU . 52.2 mt -67.57 -50.51 58.06 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.903 0.382 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.11 -32.65 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.03 -28.34 29.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.311 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.71 ' HE2' HD23 ' B' ' 100' ' ' LEU . 8.6 mttm -78.47 -32.55 48.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.151 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.26 14.85 8.73 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.486 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.93 84.92 2.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 110.048 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.839 HG22 ' ND2' ' C' ' 32' ' ' ASN . 0.3 OUTLIER -94.87 27.26 3.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.005 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . 0.562 HG22 HE21 ' C' ' 31' ' ' GLN . 3.1 m -102.1 -47.4 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.426 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.723 ' HB3' HD11 ' B' ' 96' ' ' ILE . 2.0 mm-40 -72.78 -23.3 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.531 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . 0.839 ' ND2' HG22 ' C' ' 29' ' ' THR . 24.0 p-10 -48.58 -45.04 37.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -56.59 -32.24 65.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.126 0.488 . . . . 0.0 110.136 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.416 ' HA ' ' CD1' ' B' ' 84' ' ' LEU . 1.1 mmmm -73.31 -38.6 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.306 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.658 HD12 ' CA ' ' C' ' 20' ' ' ARG . 1.8 mt -70.11 -32.04 69.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -77.06 -32.54 56.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.002 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 1.005 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -76.94 -44.66 30.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.521 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.547 ' HD2' HD21 ' C' ' 16' ' ' LEU . 2.5 t80 -67.04 -39.71 87.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.274 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.676 ' HA ' HD13 ' C' ' 16' ' ' LEU . 42.1 t80 -64.37 -53.16 52.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.192 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.86 -49.83 76.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.116 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.461 ' CG2' ' CD2' ' C' ' 47' ' ' PHE . 90.9 m -56.21 -42.74 77.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.835 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.735 ' HB3' HD21 ' C' ' 13' ' ' LEU . 7.1 mt -61.56 -33.97 74.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.15 0.5 . . . . 0.0 110.291 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.751 ' HG3' HD13 ' C' ' 13' ' ' LEU . 15.5 mtpt -79.29 -34.38 42.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.561 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -45.19 140.57 3.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.449 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.66 -43.51 1.32 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.609 2.206 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.544 HD11 HD13 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -57.91 -52.8 64.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.357 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.881 ' CE1' HD21 ' C' ' 51' ' ' LEU . 23.7 t80 -58.26 -44.94 88.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.365 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -56.43 -39.43 73.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -44.66 95.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.864 HG12 HD21 ' A' ' 53' ' ' LEU . 25.6 mt -56.78 -44.75 82.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.806 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.881 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -67.66 -34.31 76.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.276 179.49 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.9 m -53.89 -50.26 66.74 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.908 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.814 HD21 HG12 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -61.19 -46.15 91.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.646 178.768 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.489 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -58.86 -32.73 69.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.884 178.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -66.52 -36.88 83.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.887 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 39.9 t -60.61 -47.59 85.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.816 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 1.017 HG21 HG21 ' D' ' 131' ' ' ILE . 60.2 mt -60.17 -38.38 76.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.983 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -58.46 -37.51 75.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.014 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -40.55 90.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.092 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.5 mt -53.97 -49.73 68.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.673 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -60.33 -49.23 78.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.18 -42.28 98.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.53 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -62.98 -58.59 6.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.823 0.344 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.14 175.08 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.786 0.327 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 15.8 m 41.89 63.18 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.819 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.17 125.96 30.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.707 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.794 HD11 HG22 ' D' ' 133' ' ' VAL . 0.2 OUTLIER -88.74 -165.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.906 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 1.034 HD13 ' HB3' ' A' ' 37' ' ' ALA . 48.6 tp -146.79 -45.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.878 0.371 . . . . 0.0 111.579 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.56 96.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -178.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.95 HG12 HG13 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -49.63 -24.97 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.852 -178.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.29 -41.21 94.36 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.023 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -81.14 -36.12 30.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.797 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.838 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -71.98 -31.34 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.394 179.337 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.506 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 15.6 t80 -72.36 -49.93 30.43 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.128 0.489 . . . . 0.0 109.806 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 30.1 t -61.75 -29.31 70.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.369 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . 0.511 ' C ' HD12 ' D' ' 96' ' ' ILE . 32.0 t -63.06 -52.58 62.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.348 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.739 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.7 OUTLIER -56.99 -35.46 69.21 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.497 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . 0.581 ' HE2' HD22 ' D' ' 113' ' ' LEU . 0.5 OUTLIER -59.24 -43.24 92.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.748 179.135 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . 0.465 ' CD2' ' HG3' ' A' ' 31' ' ' GLN . 1.8 t60 -68.04 -54.23 19.88 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.694 HG23 HD21 ' A' ' 23' ' ' LEU . 7.2 mt -50.72 -36.66 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.894 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.601 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -62.85 -53.23 57.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.059 179.638 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -80.89 -2.34 47.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.538 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . 0.402 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.5 m -99.06 -33.45 10.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.662 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.886 HD12 HD11 ' D' ' 109' ' ' ILE . 27.1 mt -89.1 -56.16 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.771 0.32 . . . . 0.0 110.653 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 43.11 38.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.526 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.15 19.62 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.935 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.54 -71.09 0.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.73 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -34.85 74.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.222 0.534 . . . . 0.0 109.907 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.829 ' O ' HD12 ' D' ' 109' ' ' ILE . 59.0 m -67.87 -38.24 82.84 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.324 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -38.62 89.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.063 0.459 . . . . 0.0 110.298 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.07 -40.58 87.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.703 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.741 ' HB3' HG13 ' A' ' 15' ' ' VAL . 14.4 m-20 -70.41 -43.59 69.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.886 HD11 HD12 ' D' ' 100' ' ' LEU . 3.9 mt -58.55 -49.25 83.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.48 178.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.678 ' HA ' HD12 ' D' ' 113' ' ' LEU . 63.8 m -58.01 -34.65 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.101 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.565 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.84 -51.17 70.07 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.913 179.005 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.826 HD21 ' CG1' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -64.41 -40.65 96.21 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' D' ' 110' ' ' SER . 8.1 mt -58.73 -41.39 86.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.619 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . 0.426 ' HG2' ' CD1' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -65.97 -52.08 52.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.312 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.579 ' CD2' HG21 ' A' ' 12' ' ' VAL . 3.5 mp -56.3 -49.04 75.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.27 0.557 . . . . 0.0 109.947 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.95 HG13 HG12 ' D' ' 86' ' ' ILE . 87.8 t -57.82 -48.61 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.634 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 52.5 mt-30 -76.18 -8.73 57.68 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . 0.429 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.6 OUTLIER -62.5 135.51 57.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.72 0.295 . . . . 0.0 110.421 179.554 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . 0.487 ' HG2' ' HB1' ' B' ' 130' ' ' ALA . 0.0 OUTLIER -56.35 -58.88 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.76 -179.414 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.19 -50.03 74.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.522 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 8.9 t80 -55.79 -56.19 23.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.793 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -34.74 63.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.506 ' HB3' HG12 ' B' ' 127' ' ' ILE . 1.1 m120 -63.21 -51.56 65.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.005 0.431 . . . . 0.0 110.795 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.818 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -57.0 -39.49 74.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.977 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.595 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 1.7 t80 -63.79 -39.68 94.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.768 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -62.62 -35.88 81.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.412 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 1.028 HD11 HD11 ' B' ' 127' ' ' ILE . 20.9 mt -64.7 -49.34 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.803 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.775 ' O ' ' HB ' ' D' ' 132' ' ' THR . 6.3 t-80 -67.07 -31.45 71.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.285 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.87 ' O ' HG23 ' D' ' 133' ' ' VAL . 61.4 t-20 -66.09 -61.24 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.83 60.0 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 1.017 HG21 HG21 ' C' ' 57' ' ' ILE . 52.9 mt -53.99 -43.22 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.27 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.775 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.3 OUTLIER -59.33 -46.66 88.0 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.285 0.564 . . . . 0.0 109.563 178.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.87 HG23 ' O ' ' D' ' 129' ' ' ASN . 47.4 t -56.08 -44.73 79.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.693 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -32.54 73.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.135 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . 0.409 ' HE3' ' HA ' ' D' ' 132' ' ' THR . 11.5 ttm -62.77 -42.16 99.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.599 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -80.13 -35.65 36.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.768 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.73 -54.17 46.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -59.84 87.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.887 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 5' ' ' PRO . 1.3 t30 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.502 0.191 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 4' ' ' ASN . 29.9 Cg_endo -63.24 -26.46 72.11 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.513 2.142 . . . . 0.0 112.454 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.22 -33.11 50.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.32 -37.75 75.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.8 ' O ' HG23 ' A' ' 12' ' ' VAL . 27.3 mt-10 -63.08 -55.11 28.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 11.5 ttpt -60.76 -45.18 95.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.631 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -42.06 97.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.966 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.526 ' NE2' HG23 ' A' ' 15' ' ' VAL . 31.9 tp60 -68.56 -35.38 77.34 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 8' ' ' GLU . 41.9 t -62.83 -52.22 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.394 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.63 ' HA ' HD12 ' A' ' 16' ' ' LEU . 8.4 mt -55.4 -42.82 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.151 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -28.33 66.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.758 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.81 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.6 t -73.79 -38.52 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.988 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 13' ' ' LEU . 15.7 mt -64.11 -42.01 97.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -43.25 74.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -65.13 -54.25 32.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.04 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.776 HD12 HD11 ' D' ' 112' ' ' LEU . 41.3 mt -51.89 -55.8 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.781 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.64 ' CB ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -52.25 -40.57 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.941 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.82 -42.34 96.51 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.745 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.8 mmtp -61.94 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.558 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.674 HD21 HG23 ' D' ' 96' ' ' ILE . 35.0 mt -62.87 -50.58 70.35 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -55.83 -33.07 64.13 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.31 -27.41 29.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.495 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LYS . 1.2 mmtp -80.89 -30.22 35.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.242 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.17 22.79 6.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.108 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.7 83.21 2.0 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.991 0.425 . . . . 0.0 109.887 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.04 36.0 1.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.253 0.549 . . . . 0.0 109.914 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -109.93 -44.22 3.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.724 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.669 ' HB3' HD11 ' D' ' 96' ' ' ILE . 4.9 mp0 -70.67 -23.05 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.408 ' HB2' ' CD ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -46.37 -45.83 18.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.36 -179.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -57.02 -32.7 66.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.921 0.391 . . . . 0.0 110.362 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.549 ' O ' HD13 ' D' ' 84' ' ' LEU . 21.9 mmmt -72.16 -39.44 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 109.911 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.64 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.6 mt -70.41 -29.6 66.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.602 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 m -74.28 -34.85 63.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.968 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' D' ' 84' ' ' LEU . . . -74.5 -48.79 25.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.713 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.698 ' CE2' HD11 ' A' ' 42' ' ' LEU . 14.2 t80 -62.31 -50.98 69.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.338 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.596 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -56.53 -54.31 47.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.743 179.753 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.87 -49.77 75.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.939 HG22 ' CD2' ' A' ' 47' ' ' PHE . 52.7 m -58.28 -38.02 76.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.728 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.698 HD11 ' CE2' ' A' ' 38' ' ' PHE . 8.4 mt -64.06 -32.67 74.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.475 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -76.41 -32.02 58.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.93 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 t -51.5 137.42 31.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.328 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.72 -37.46 2.23 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.51 2.14 . . . . 0.0 112.172 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.591 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.2 OUTLIER -60.35 -53.86 52.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.147 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.939 ' CD2' HG22 ' A' ' 41' ' ' THR . 10.3 t80 -58.84 -45.02 91.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.387 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -57.72 -36.06 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.324 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.51 -41.79 98.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.19 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.797 HG12 HD21 ' C' ' 53' ' ' LEU . 5.9 mt -59.05 -49.04 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.738 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.607 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -62.94 -37.53 87.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.37 179.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.4 m -53.69 -50.0 66.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.936 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.862 HD21 HG12 ' C' ' 50' ' ' ILE . 0.4 OUTLIER -58.92 -41.98 88.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.534 178.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.642 HE21 ' HB2' ' D' ' 124' ' ' ALA . 7.2 mm-40 -60.4 -39.13 86.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.222 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -59.73 -39.82 85.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.127 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 t -61.03 -45.13 96.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.773 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.773 HD13 HD11 ' C' ' 46' ' ' LEU . 3.0 mt -60.08 -36.38 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.323 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -61.07 -41.18 96.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.929 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -62.12 -39.17 91.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.207 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.2 mt -57.61 -48.02 80.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.685 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 8.0 mtmm -64.72 -33.0 74.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.2 -27.43 44.6 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.607 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.82 -53.29 5.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.62 126.85 29.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.048 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.786 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.731 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 121.003 0.43 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.731 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -179.49 -73.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.908 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.455 ' H ' HG23 ' B' ' 81' ' ' VAL . 0.0 OUTLIER 61.1 134.58 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.07 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.598 ' N ' HD13 ' B' ' 83' ' ' ILE . 0.4 OUTLIER -92.2 -165.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.844 HD13 ' HB3' ' C' ' 37' ' ' ALA . 28.9 tp -163.6 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.27 104.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.49 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.859 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -49.61 -26.34 2.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.766 -179.346 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.27 -46.11 88.34 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.308 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -77.81 -35.29 51.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.483 . . . . 0.0 109.967 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.792 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.53 -30.38 65.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.471 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 11.0 t80 -72.6 -50.34 26.07 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.225 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 11.5 m -62.41 -29.34 70.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.527 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . 0.448 ' C ' HD12 ' B' ' 96' ' ' ILE . 56.3 m -64.07 -52.16 60.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.625 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.771 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.7 OUTLIER -57.08 -36.18 70.26 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.521 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -59.21 -42.1 90.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.767 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.423 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.4 t60 -69.01 -53.35 20.97 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.671 HG23 HD21 ' C' ' 23' ' ' LEU . 8.3 mt -51.02 -38.08 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.902 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.747 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -61.82 -53.81 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.095 179.675 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.71 -4.89 53.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.409 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.8 m -95.5 -33.3 12.49 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.457 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.887 HD12 HD11 ' B' ' 109' ' ' ILE . 18.2 mt -89.31 -54.32 4.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.252 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.26 36.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.672 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.424 ' HB2' ' HB2' ' B' ' 105' ' ' SER . 0.5 OUTLIER -98.59 23.92 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.567 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.46 -72.87 0.07 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.75 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 102' ' ' ASP . 0.0 OUTLIER -59.87 -29.53 68.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.201 0.524 . . . . 0.0 109.936 179.18 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.861 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -70.38 -42.32 71.89 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.375 179.305 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -35.0 76.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.049 0.452 . . . . 0.0 110.315 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -69.97 -41.41 74.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.741 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.847 ' HB3' HG13 ' C' ' 15' ' ' VAL . 43.0 m-20 -70.8 -43.0 69.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.644 0.735 . . . . 0.0 109.053 179.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.887 HD11 HD12 ' B' ' 100' ' ' LEU . 4.2 mt -60.33 -49.34 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.41 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.636 ' HA ' HD12 ' B' ' 113' ' ' LEU . 8.4 t -57.67 -33.72 68.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.934 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.622 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.95 -51.55 68.74 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.821 178.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.888 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.9 mt -63.48 -43.72 96.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.335 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' B' ' 110' ' ' SER . 6.3 mt -55.17 -41.88 72.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.787 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -61.75 -51.99 66.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.755 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.589 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.3 mp -60.25 -49.07 79.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.256 0.551 . . . . 0.0 110.264 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 112' ' ' LEU . 48.2 t -57.36 -34.22 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.577 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.439 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 54.7 mt-30 -90.29 -10.86 42.6 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.75 141.7 52.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 110.528 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -58.76 5.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.274 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.94 -45.35 95.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.71 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 12.3 t80 -55.94 -56.02 25.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.757 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.94 -37.15 60.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.803 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.423 ' HB3' HG12 ' D' ' 127' ' ' ILE . 0.6 OUTLIER -62.78 -51.4 67.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.841 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -61.8 -46.68 88.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.784 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.623 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 4.4 t80 -60.77 -35.55 76.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -38.58 89.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.66 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 1.078 HD11 HD11 ' D' ' 127' ' ' ILE . 12.3 mt -63.41 -49.79 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.909 0.385 . . . . 0.0 110.832 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.63 ' O ' ' HB ' ' B' ' 132' ' ' THR . 14.2 t-80 -66.59 -32.49 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.051 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.926 ' O ' HG23 ' B' ' 133' ' ' VAL . 34.3 t-20 -63.15 -60.68 3.1 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . 0.532 ' HB1' ' NZ ' ' D' ' 119' ' ' LYS . . . -67.39 -51.66 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.675 HD12 HG22 ' B' ' 127' ' ' ILE . 55.4 mt -53.31 -38.07 30.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.759 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.63 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.8 OUTLIER -63.09 -53.19 57.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.451 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.926 HG23 ' O ' ' B' ' 129' ' ' ASN . 24.9 t -53.28 -49.98 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -30.97 72.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.265 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 28.4 ttm -58.63 -50.82 72.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.776 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -75.75 -36.93 59.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -65.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -96.0 98.64 10.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 34.5 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.906 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.486 0.184 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.44 -53.02 3.21 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.402 2.068 . . . . 0.0 112.131 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.02 -32.39 61.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.306 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.33 -37.15 77.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.874 ' O ' HG23 ' C' ' 12' ' ' VAL . 3.1 mm-40 -68.0 -53.97 21.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.0 OUTLIER -51.92 -40.98 61.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.815 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . 0.488 ' HE3' HD12 ' C' ' 13' ' ' LEU . 3.3 tpt -61.59 -53.17 59.9 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.713 ' O ' HG23 ' C' ' 15' ' ' VAL . 25.6 tp60 -60.06 -31.56 70.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.771 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.874 HG23 ' O ' ' C' ' 8' ' ' GLU . 87.9 t -63.44 -47.67 90.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.81 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' C' ' 16' ' ' LEU . 13.5 mt -58.38 -46.12 86.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.048 0.452 . . . . 0.0 110.007 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -27.86 68.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.665 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.847 HG13 ' HB3' ' B' ' 108' ' ' ASP . 4.8 t -73.01 -40.64 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.206 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' C' ' 13' ' ' LEU . 7.3 mt -64.06 -39.14 93.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.835 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.86 -39.15 69.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.675 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -66.61 -54.42 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.804 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.631 HD22 HD12 ' B' ' 100' ' ' LEU . 79.9 mt -53.63 -57.29 11.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.39 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.723 ' HA ' HD12 ' C' ' 23' ' ' LEU . 0.9 OUTLIER -50.61 -37.65 41.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.816 179.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.41 -49.43 76.56 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.755 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.591 ' HB3' HD22 ' B' ' 100' ' ' LEU . 12.4 mttm -62.13 -34.21 75.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 0.0 110.601 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' C' ' 20' ' ' ARG . 33.6 mt -66.45 -50.46 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.501 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.439 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.0 OUTLIER -59.41 -26.77 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.123 179.295 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.29 -31.21 30.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.713 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' B' ' 100' ' ' LEU . 0.7 OUTLIER -81.17 -34.99 32.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.355 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.24 15.92 5.87 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.634 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -111.17 81.74 1.49 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.93 0.395 . . . . 0.0 109.97 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.439 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.3 OUTLIER -91.54 11.42 24.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.142 179.803 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 50.8 m -75.65 -39.52 57.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.409 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.659 ' HB3' HD11 ' B' ' 96' ' ' ILE . 0.9 OUTLIER -84.62 -18.52 35.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.555 179.458 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.77 -52.9 13.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.018 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.71 -35.11 68.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.438 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.41 ' HG3' ' OG ' ' B' ' 92' ' ' SER . 23.7 mmmt -64.46 -41.55 96.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.185 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.684 HD12 ' CB ' ' C' ' 20' ' ' ARG . 1.8 mt -70.22 -31.73 69.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.692 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -33.96 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.802 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.844 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -71.62 -43.52 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.39 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.71 ' CD2' HD21 ' C' ' 16' ' ' LEU . 2.4 t80 -70.71 -49.88 42.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.412 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.684 ' CA ' HD13 ' C' ' 16' ' ' LEU . 28.9 t80 -57.49 -53.73 54.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.245 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.42 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 39.1 mt-10 -58.92 -49.22 78.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.454 HG22 ' CD2' ' C' ' 47' ' ' PHE . 93.7 m -57.77 -39.22 76.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.612 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.692 HD11 ' CE1' ' C' ' 38' ' ' PHE . 3.5 mt -61.72 -33.54 74.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.292 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.482 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -73.09 -32.38 64.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.911 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -47.04 130.89 9.09 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.372 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.11 -33.61 31.01 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.412 2.074 . . . . 0.0 111.979 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.773 HD11 HD13 ' A' ' 57' ' ' ILE . 0.5 OUTLIER -63.94 -55.26 23.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.213 179.603 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.689 ' CE1' HD21 ' C' ' 51' ' ' LEU . 9.7 t80 -58.02 -42.85 86.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.32 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -56.15 -37.89 70.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.451 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -64.47 -42.01 96.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.226 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.862 HG12 HD21 ' A' ' 53' ' ' LEU . 7.0 mt -58.22 -44.77 88.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.881 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.689 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -67.94 -35.44 78.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.19 179.678 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 40.1 m -53.86 -49.73 67.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.003 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.797 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -60.98 -46.51 90.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.661 178.688 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.702 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -59.92 -32.14 70.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.18 179.054 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -64.88 -39.67 93.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.035 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 4.9 m -61.72 -43.85 98.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.671 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.787 HG21 HG21 ' D' ' 131' ' ' ILE . 5.3 mt -59.69 -39.62 80.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.938 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . 0.413 ' HA ' ' CG ' ' C' ' 61' ' ' LYS . 0.0 OUTLIER -62.6 -32.56 73.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.487 178.528 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' C' ' 63' ' ' GLN . 0.0 OUTLIER -61.89 -43.23 99.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.688 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.8 OUTLIER -56.11 -65.01 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.917 178.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.413 ' CG ' ' HA ' ' C' ' 58' ' ' LYS . 0.0 OUTLIER -53.84 -23.53 12.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.209 179.589 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.47 1.65 53.46 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.835 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' C' ' 59' ' ' GLN . 9.8 mt-30 -119.19 -5.64 10.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.939 0.37 . . . . 0.0 111.776 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.98 -46.57 0.44 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.71 0.291 . . . . 0.0 111.349 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.628 -179.329 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . 0.745 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.78 0.324 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . 0.766 HG12 ' OG1' ' D' ' 132' ' ' THR . 0.0 OUTLIER -170.87 41.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.003 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -94.06 103.45 15.51 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.386 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.894 HG21 ' HA ' ' D' ' 129' ' ' ASN . 0.1 OUTLIER -93.96 -165.58 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.435 179.748 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 0.721 HD23 ' HZ ' ' D' ' 125' ' ' PHE . 2.2 pt? -162.51 -4.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' D' ' 84' ' ' LEU . 0.2 OUTLIER 60.52 141.7 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.96 0.41 . . . . 0.0 110.82 179.671 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.741 HG23 HG12 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -70.36 -32.18 49.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.429 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.05 -42.16 99.65 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.581 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . 0.429 ' HB3' ' NZ ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -75.78 -44.26 42.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.704 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -72.68 -28.5 62.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.974 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' D' ' 86' ' ' ILE . 38.0 t80 -70.48 -41.29 72.91 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.8 -31.77 72.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.201 178.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . 0.797 ' C ' HD12 ' D' ' 96' ' ' ILE . 0.1 OUTLIER -65.06 -52.03 58.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.36 179.178 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -56.61 -35.97 68.89 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.445 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -59.21 -45.75 90.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.641 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -66.14 -55.86 14.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.797 HD12 ' C ' ' D' ' 92' ' ' SER . 4.7 mt -50.92 -33.92 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.082 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.608 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -64.71 -51.14 64.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.95 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -75.93 -21.98 56.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.063 0.459 . . . . 0.0 110.388 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.13 -34.07 26.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.026 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.622 HD12 ' CG2' ' D' ' 96' ' ' ILE . 92.9 mt -106.37 81.08 1.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.04 36.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.116 -178.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.34 11.43 14.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.879 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' D' ' 106' ' ' GLN . 0.2 OUTLIER 75.97 -67.52 0.23 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.176 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -31.44 71.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.145 0.498 . . . . 0.0 110.045 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.772 ' O ' HD12 ' D' ' 109' ' ' ILE . 2.8 m -72.17 -44.95 62.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.968 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' D' ' 103' ' ' SER . 3.0 pt20 -63.52 -30.1 71.27 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.622 0.249 . . . . 0.0 110.585 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -39.25 64.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.975 0.417 . . . . 0.0 110.093 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.736 ' CG ' HG22 ' A' ' 15' ' ' VAL . 26.1 m-20 -70.3 -41.88 72.76 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.772 HD12 ' O ' ' D' ' 105' ' ' SER . 4.1 mt -59.96 -49.55 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.372 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.644 ' HA ' HD12 ' D' ' 113' ' ' LEU . 2.3 t -54.89 -36.78 65.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.745 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.596 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -56.23 -50.89 69.99 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.981 178.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.842 ' O ' HG23 ' D' ' 116' ' ' VAL . 3.6 mt -61.41 -44.51 97.01 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.193 0.521 . . . . 0.0 109.659 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' D' ' 110' ' ' SER . 2.8 mt -55.66 -43.13 76.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.598 179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -61.51 -49.35 77.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.44 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.637 ' CD2' HG21 ' A' ' 12' ' ' VAL . 2.2 mp -60.69 -47.72 84.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.322 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.842 HG23 ' O ' ' D' ' 112' ' ' LEU . 41.3 t -63.02 -38.67 82.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.488 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 25.4 mt-30 -81.07 -12.59 59.27 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.59 133.48 53.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.75 0.309 . . . . 0.0 110.749 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . 0.532 ' NZ ' ' HB1' ' B' ' 130' ' ' ALA . 0.0 OUTLIER -57.38 -58.79 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.462 -179.341 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -50.25 74.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.5 t80 -56.96 -39.86 75.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.494 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 20.0 mt-30 -58.69 -47.96 82.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.114 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.427 ' HB3' HG12 ' B' ' 127' ' ' ILE . 68.2 m-20 -61.59 -42.47 98.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.995 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.887 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.71 -49.23 75.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.721 ' HZ ' HD23 ' D' ' 84' ' ' LEU . 10.5 t80 -60.16 -36.71 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.673 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 19.6 mmtt -62.81 -34.74 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.405 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 1.078 HD11 HD11 ' B' ' 127' ' ' ILE . 10.3 mt -69.38 -50.03 55.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.694 ' O ' ' HB ' ' D' ' 132' ' ' THR . 27.6 t-80 -63.5 -48.43 77.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.774 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.894 ' HA ' HG21 ' D' ' 83' ' ' ILE . 1.3 t30 -55.57 -60.36 3.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.042 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.46 -52.07 66.78 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.787 HG21 HG21 ' C' ' 57' ' ' ILE . 56.4 mt -58.63 -41.51 82.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.431 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.766 ' OG1' HG12 ' D' ' 81' ' ' VAL . 0.5 OUTLIER -61.58 -48.57 80.38 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.152 0.501 . . . . 0.0 109.654 179.042 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' D' ' 132' ' ' THR . 47.1 t -57.86 -46.12 87.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.276 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -63.44 -32.28 73.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.039 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . 0.45 ' HE2' HG22 ' D' ' 131' ' ' ILE . 0.0 OUTLIER -60.53 -44.35 96.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.549 179.522 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -79.92 -36.47 36.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.78 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -56.1 18.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -95.69 98.1 10.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.224 -0.894 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.0 t30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.603 0.239 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.437 ' HA ' ' HG2' ' A' ' 8' ' ' GLU . 59.9 Cg_endo -71.43 -21.88 25.63 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.568 2.179 . . . . 0.0 112.548 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.38 -31.63 67.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.64 -41.88 78.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.0 pt-20 -67.91 -42.0 81.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.754 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.713 ' HD2' HD22 ' A' ' 42' ' ' LEU . 2.6 tptt -65.98 -44.9 83.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.622 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.4 -38.63 87.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.579 ' NE2' HG23 ' A' ' 15' ' ' VAL . 32.7 tp60 -70.86 -35.24 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 8' ' ' GLU . 19.5 t -60.46 -54.35 36.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.351 179.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.689 ' HA ' HD12 ' A' ' 16' ' ' LEU . 15.5 mt -57.93 -43.83 86.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.884 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -28.39 69.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.554 178.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.819 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.2 t -73.78 -39.47 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.802 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 13' ' ' LEU . 23.3 mt -61.83 -39.69 92.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.647 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.36 -40.22 70.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -65.36 -54.71 24.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.655 HD12 HD11 ' D' ' 112' ' ' LEU . 77.2 mt -52.98 -53.75 45.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.075 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.775 ' HB2' HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -50.13 -45.88 53.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.825 179.328 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.16 67.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.916 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.771 ' HB3' HD22 ' D' ' 100' ' ' LEU . 1.1 mttm -66.76 -31.96 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.698 0.285 . . . . 0.0 110.862 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.725 HD21 HG23 ' D' ' 96' ' ' ILE . 60.2 mt -67.41 -50.58 58.86 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.085 0.469 . . . . 0.0 110.543 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.6 OUTLIER -62.86 -26.5 68.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.908 179.055 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.79 -33.32 27.33 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.74 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.8 OUTLIER -78.39 -33.52 48.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.491 -179.726 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.83 25.79 3.81 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.575 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -122.7 83.86 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.916 0.389 . . . . 0.0 109.999 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -94.05 13.2 23.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.562 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 m -78.59 -55.75 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.181 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.624 ' HB3' HD11 ' D' ' 96' ' ' ILE . 4.2 mp0 -67.48 -14.5 62.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.607 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -51.22 -45.63 61.97 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.736 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -57.5 -33.54 68.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.565 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -70.6 -35.68 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.398 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.775 HD12 ' HB2' ' A' ' 20' ' ' ARG . 2.9 mt -70.4 -36.63 74.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.371 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.4 p -73.14 -32.1 64.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.137 0.494 . . . . 0.0 109.907 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.834 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -75.17 -44.32 47.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.549 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.549 ' HD2' HD21 ' A' ' 16' ' ' LEU . 3.1 t80 -68.72 -47.29 66.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.286 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.579 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -56.3 -53.46 56.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.928 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -51.41 69.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.536 HG22 ' CE2' ' A' ' 47' ' ' PHE . 89.4 m -55.56 -39.57 70.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.713 HD22 ' HD2' ' A' ' 9' ' ' LYS . 6.6 mt -62.88 -35.44 80.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.547 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -72.37 -28.87 63.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.088 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 47' ' ' PHE . 67.1 m -42.45 128.92 2.9 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.447 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.82 -58.64 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.571 2.181 . . . . 0.0 112.67 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.825 HD13 HG12 ' C' ' 57' ' ' ILE . 0.5 OUTLIER -57.7 -34.3 69.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.536 ' CE2' HG22 ' A' ' 41' ' ' THR . 9.2 t80 -62.32 -47.81 82.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.105 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -55.89 -37.57 69.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.026 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.9 -41.1 97.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.352 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.605 HG12 HD21 ' C' ' 53' ' ' LEU . 2.4 mt -60.13 -45.71 95.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.715 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.561 HD12 ' NZ ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -64.09 -44.23 92.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.342 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.0 m -54.56 -39.58 67.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.0 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.797 HD21 HG12 ' C' ' 50' ' ' ILE . 0.9 OUTLIER -61.5 -50.43 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.012 178.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.557 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 1.1 mp0 -59.73 -31.84 69.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.943 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -40.24 96.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.931 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.7 t -60.83 -48.82 80.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.687 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.772 HG21 HG21 ' B' ' 131' ' ' ILE . 67.4 mt -59.8 -34.93 57.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.923 178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -42.45 89.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.037 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -62.81 -40.74 98.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.945 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 57' ' ' ILE . 1.9 mt -55.53 -42.04 74.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.637 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -63.69 -50.52 68.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.65 -44.54 97.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.6 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -62.02 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.26 87.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.744 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.878 0.37 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.744 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -172.46 56.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.918 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -74.07 143.8 45.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.856 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.1 OUTLIER -98.27 -159.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.971 HD13 ' HB3' ' C' ' 37' ' ' ALA . 25.1 tp -155.22 -36.87 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.04 104.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.508 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.944 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -49.88 -25.01 2.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.626 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.26 -48.38 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.069 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.4 -34.73 58.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.803 178.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.744 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.42 -29.04 64.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.453 179.387 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.552 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 8.2 t80 -72.39 -50.54 25.78 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.904 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 10.5 t -63.31 -27.2 69.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.484 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . 0.419 ' C ' HD12 ' B' ' 96' ' ' ILE . 55.8 m -65.33 -51.57 59.69 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.651 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.717 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.8 OUTLIER -58.36 -38.33 77.01 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.564 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -59.39 -39.89 84.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.581 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.411 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 1.6 t60 -69.73 -53.52 18.07 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.687 HG23 HD21 ' C' ' 23' ' ' LEU . 9.4 mt -51.33 -39.69 21.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.041 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.92 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -62.51 -52.06 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.039 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -80.0 -4.45 52.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.503 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . 0.404 ' N ' ' O ' ' B' ' 95' ' ' HIS . 1.6 m -96.66 -34.0 11.55 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.304 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.952 HD12 HD11 ' B' ' 109' ' ' ILE . 71.8 mt -91.62 -54.92 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.076 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.87 38.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.695 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.44 27.37 5.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.454 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 50.1 m 65.03 -73.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.597 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' B' ' 107' ' ' GLU . 0.0 OUTLIER -60.39 -26.8 66.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.868 ' O ' HD12 ' B' ' 109' ' ' ILE . 53.9 p -73.12 -50.65 21.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.199 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -62.46 -30.84 71.54 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' B' ' 104' ' ' GLN . 4.3 pt-20 -73.87 -39.73 63.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.371 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.727 ' HB3' HG13 ' C' ' 15' ' ' VAL . 24.8 m-20 -71.23 -42.1 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.952 HD11 HD12 ' B' ' 100' ' ' LEU . 4.1 mt -60.13 -49.55 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.818 178.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.585 ' HA ' HD12 ' B' ' 113' ' ' LEU . 4.3 t -57.32 -37.33 72.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.546 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.644 ' CD2' HG22 ' C' ' 12' ' ' VAL . 7.6 tt -58.0 -48.1 81.04 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.972 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.757 HD21 ' CG1' ' C' ' 15' ' ' VAL . 3.1 mt -63.5 -43.59 96.8 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.624 ' CD1' HG22 ' B' ' 109' ' ' ILE . 3.2 mt -55.73 -43.95 77.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.442 179.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.18 -46.18 91.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.741 ' CD2' HG21 ' C' ' 12' ' ' VAL . 5.7 mp -61.81 -45.93 91.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.977 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.944 HG13 HG12 ' B' ' 86' ' ' ILE . 73.3 t -60.31 -46.37 95.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.571 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.458 ' CG ' ' CE1' ' B' ' 90' ' ' PHE . 52.1 mt-30 -74.57 -16.76 60.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.498 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 50.1 t-20 -59.62 131.36 50.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.849 0.357 . . . . 0.0 110.385 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -54.42 -58.78 6.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.979 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.21 -50.41 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.399 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.498 ' HB3' ' HB3' ' B' ' 118' ' ' ASN . 11.7 t80 -58.23 -56.22 24.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.94 0.4 . . . . 0.0 110.522 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -55.48 -30.72 61.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.8 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.549 ' HB3' HG12 ' D' ' 127' ' ' ILE . 71.0 m-20 -68.35 -51.13 47.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.533 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.885 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -59.32 -47.92 83.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.615 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.584 ' CZ ' HD23 ' B' ' 84' ' ' LEU . 4.4 t80 -58.82 -34.94 72.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.636 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -65.35 -37.53 87.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.434 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 1.034 HD11 HD11 ' D' ' 127' ' ' ILE . 13.0 mt -62.98 -49.78 82.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.666 ' O ' ' HB ' ' B' ' 132' ' ' THR . 23.3 t-80 -63.49 -48.94 75.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.91 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.851 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.1 t30 -55.22 -60.2 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.931 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.17 -52.06 66.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.74 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.774 HD12 HG22 ' B' ' 127' ' ' ILE . 68.9 mt -57.36 -46.7 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.21 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.856 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.5 OUTLIER -57.12 -46.05 82.96 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.277 0.56 . . . . 0.0 109.664 179.263 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.851 HG23 ' O ' ' B' ' 129' ' ' ASN . 90.1 t -56.42 -49.46 76.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.155 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -63.75 -31.02 72.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.341 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . 0.402 ' HE3' ' HA ' ' B' ' 132' ' ' THR . 27.7 ttm -56.35 -60.05 4.08 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -67.67 -28.22 67.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -42.73 77.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -108.49 -177.9 3.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.057 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.913 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.53 0.205 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -66.09 -43.96 8.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.522 2.148 . . . . 0.0 112.026 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.74 -30.36 43.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.238 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.14 84.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.814 ' O ' HG23 ' C' ' 12' ' ' VAL . 5.7 mm-40 -61.73 -54.03 48.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.704 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 2.7 tmmm? -60.98 -42.45 98.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.468 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.41 -44.83 96.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.142 0.496 . . . . 0.0 109.692 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.496 ' O ' ' HG3' ' C' ' 14' ' ' GLN . 30.0 tp60 -66.56 -35.96 81.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.365 178.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.814 HG23 ' O ' ' C' ' 8' ' ' GLU . 43.4 t -60.26 -43.4 93.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.475 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.765 HD13 ' HZ3' ' C' ' 43' ' ' LYS . 7.2 mt -62.5 -52.73 62.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.887 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' C' ' 11' ' ' GLN . 0.0 OUTLIER -67.16 -27.68 67.49 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.656 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.757 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.3 t -72.86 -37.05 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.858 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.73 HD21 ' CD2' ' C' ' 38' ' ' PHE . 9.7 mt -64.13 -46.96 81.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.749 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.4 -38.8 91.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.636 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -53.4 51.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.976 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.616 HD12 HD11 ' B' ' 112' ' ' LEU . 39.2 mt -51.98 -57.36 9.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.72 ' HB2' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -52.18 -37.47 54.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.875 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.45 -47.02 92.19 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.913 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.724 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.2 mttm -64.21 -31.7 73.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.733 0.302 . . . . 0.0 110.698 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.687 HD21 HG23 ' B' ' 96' ' ' ILE . 40.3 mt -68.21 -50.43 54.2 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.774 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -32.28 66.05 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -82.75 -27.66 30.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.153 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' C' ' 23' ' ' LEU . 3.6 mmtp -77.27 -35.18 55.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.11 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.51 5.2 16.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.521 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -106.81 87.04 2.43 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.021 0.439 . . . . 0.0 110.146 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.45 14.62 14.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.026 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 8.2 m -84.01 -52.08 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.448 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.42 ' HB3' HD11 ' B' ' 96' ' ' ILE . 3.1 mp0 -72.57 -20.96 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.645 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -53.03 -45.36 67.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.93 -32.65 66.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.197 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -67.6 -45.14 76.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.258 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.72 HD12 ' HB2' ' C' ' 20' ' ' ARG . 2.0 mt -61.81 -37.67 85.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.437 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 22.8 p -71.46 -31.66 67.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.119 0.485 . . . . 0.0 109.911 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.971 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.39 -44.8 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.363 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.73 ' CD2' HD21 ' C' ' 16' ' ' LEU . 2.6 t80 -71.6 -44.72 63.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.146 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.577 ' HB2' ' O ' ' C' ' 35' ' ' LEU . 8.3 t80 -53.62 -53.22 54.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.003 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -52.12 66.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . . . . . . . . . 87.2 m -54.51 -33.6 60.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.946 0.403 . . . . 0.0 110.794 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' C' ' 38' ' ' PHE . 0.3 OUTLIER -68.52 -37.6 80.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.504 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.765 ' HZ3' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -69.44 -27.91 65.66 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.805 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -49.13 124.38 13.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.261 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.62 -37.65 36.06 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.405 2.07 . . . . 0.0 112.052 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.719 HD11 HD11 ' A' ' 57' ' ' ILE . 0.9 OUTLIER -63.94 -47.89 78.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.1 179.532 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.782 ' CE1' HD21 ' C' ' 51' ' ' LEU . 20.9 t80 -57.75 -47.54 82.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.416 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -55.92 -37.41 68.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.372 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -61.91 -42.88 99.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.256 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.797 HG12 HD21 ' A' ' 53' ' ' LEU . 2.7 mt -58.46 -46.5 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.544 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.782 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -65.83 -35.62 81.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.169 179.52 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 28.3 m -53.59 -52.16 60.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.101 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.605 HD21 HG12 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -59.35 -44.02 92.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.783 178.836 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.494 HE21 ' HB2' ' B' ' 124' ' ' ALA . 4.0 mt-30 -60.31 -35.54 75.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.305 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.38 -41.67 98.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.189 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -46.41 90.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.185 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.825 HG12 HD13 ' A' ' 46' ' ' LEU . 34.8 mt -59.63 -37.68 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.218 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . 0.421 ' HA ' ' CE ' ' C' ' 61' ' ' LYS . 16.1 tppt? -61.85 -37.73 85.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.824 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -38.26 88.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.561 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.1 mt -62.95 -60.24 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.477 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.639 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 0.0 OUTLIER -57.74 -20.72 36.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.414 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.49 -20.16 20.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.102 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -134.73 31.94 3.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.854 0.327 . . . . 0.0 111.35 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.658 HD11 ' SD ' ' D' ' 135' ' ' MET . 0.6 OUTLIER -64.64 91.85 0.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.849 0.357 . . . . 0.0 110.848 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.997 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . 0.735 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.8 0.333 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . 0.735 HG13 ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER -170.03 33.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -88.65 136.0 33.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.637 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.585 ' N ' HD13 ' D' ' 83' ' ' ILE . 1.0 OUTLIER -87.15 171.21 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.967 0.413 . . . . 0.0 111.142 -179.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 0.834 HD13 ' HB3' ' A' ' 37' ' ' ALA . 48.0 tp -129.26 -39.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.21 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 57.33 107.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.347 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.845 HG12 HG13 ' D' ' 116' ' ' VAL . 0.8 OUTLIER -49.82 -25.8 2.43 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.488 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.731 -179.399 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.45 -47.47 81.73 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.358 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -77.13 -34.56 56.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.705 HD11 HG21 ' D' ' 116' ' ' VAL . 0.1 OUTLIER -72.22 -30.03 64.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.514 179.432 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.521 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.2 t80 -72.26 -48.16 44.71 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 97.4 p -63.62 -28.39 69.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.421 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . 0.738 ' O ' HD12 ' D' ' 96' ' ' ILE . 22.9 t -63.76 -53.12 55.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.765 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.5 OUTLIER -58.62 -34.81 71.57 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.338 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -59.66 -42.18 92.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.602 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . 0.45 ' CD2' ' NE2' ' A' ' 31' ' ' GLN . 1.7 t60 -68.78 -55.23 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.738 HD12 ' O ' ' D' ' 92' ' ' SER . 4.6 mt -52.95 -33.9 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.23 179.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.764 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.1 OUTLIER -66.66 -49.11 67.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.78 -21.27 57.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.37 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.05 -37.02 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.918 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.771 HD22 ' HB3' ' A' ' 22' ' ' LYS . 21.5 mt -107.55 75.5 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -95.26 37.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.26 -178.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.07 28.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.916 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 22.6 t 66.96 -70.59 0.11 Allowed 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.728 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -34.81 63.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.05 0.452 . . . . 0.0 110.483 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.861 ' O ' HD12 ' D' ' 109' ' ' ILE . 1.3 m -67.39 -43.44 81.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -34.46 73.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.03 -42.55 72.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.065 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.752 ' CG ' HG22 ' A' ' 15' ' ' VAL . 47.0 m-20 -70.46 -42.26 71.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.653 0.74 . . . . 0.0 109.097 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.861 HD12 ' O ' ' D' ' 105' ' ' SER . 4.2 mt -61.04 -49.54 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.681 178.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.585 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.1 m -57.59 -33.16 67.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.689 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.634 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -57.42 -51.56 68.93 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.873 178.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.841 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.0 mt -63.48 -42.29 98.56 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.409 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.626 ' CD1' HG22 ' D' ' 109' ' ' ILE . 5.6 mt -57.54 -41.41 80.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.777 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.8 -50.08 73.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.954 0.407 . . . . 0.0 110.497 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.492 HD21 HG21 ' A' ' 12' ' ' VAL . 1.4 mp -60.97 -48.85 79.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.143 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.845 HG13 HG12 ' D' ' 86' ' ' ILE . 47.9 t -60.65 -40.37 84.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.563 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.436 ' CG ' ' CE1' ' D' ' 90' ' ' PHE . 44.4 mt-30 -82.21 -10.77 59.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.777 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.9 OUTLIER -61.43 140.36 58.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 110.55 179.552 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -64.77 -58.28 6.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.306 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.35 -50.08 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.885 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.2 t80 -55.68 -47.31 76.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.451 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -54.12 -42.7 69.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.469 ' HB3' HG12 ' B' ' 127' ' ' ILE . 65.7 m-80 -60.48 -49.52 77.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.0 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.836 ' HA ' HD12 ' D' ' 127' ' ' ILE . . . -56.7 -48.21 78.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.045 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.596 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 10.5 t80 -59.02 -36.49 75.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -64.91 -36.58 84.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 1.034 HD11 HD11 ' B' ' 127' ' ' ILE . 15.5 mt -63.4 -49.72 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 0.0 110.58 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.634 ' O ' ' HB ' ' D' ' 132' ' ' THR . 17.5 t-80 -66.41 -40.83 89.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.077 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.91 ' O ' HG23 ' D' ' 133' ' ' VAL . 0.2 OUTLIER -55.86 -60.88 2.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.181 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.41 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.752 HD12 HG22 ' D' ' 127' ' ' ILE . 46.3 mt -53.83 -35.8 28.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.743 0.306 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.634 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.3 -50.82 70.13 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.154 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.91 HG23 ' O ' ' D' ' 129' ' ' ASN . 14.4 t -52.94 -50.76 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.037 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -30.8 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.734 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . 0.658 ' SD ' HD11 ' C' ' 64' ' ' LEU . 29.1 ttm -58.76 -62.05 2.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -69.85 -36.0 75.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -66.09 -64.36 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -64.83 128.99 38.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.894 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 5.6 t30 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.553 0.216 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 4' ' ' ASN . 24.1 Cg_exo -62.58 -47.95 8.3 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.547 2.164 . . . . 0.0 112.092 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.28 -27.53 6.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.363 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.04 89.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.801 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.2 mt-10 -68.08 -49.08 63.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.711 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.83 ' HD2' HD22 ' A' ' 42' ' ' LEU . 3.9 tptt -60.1 -44.46 94.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.605 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.447 ' HA ' ' HE2' ' A' ' 10' ' ' MET . 1.8 mmt -61.4 -44.47 97.09 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.7 tp60 -65.81 -37.38 86.1 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 8' ' ' GLU . 43.1 t -59.56 -51.47 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.383 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 16' ' ' LEU . 7.7 mt -57.49 -45.25 85.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.099 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -28.24 68.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.666 178.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.812 HG13 ' HB3' ' D' ' 108' ' ' ASP . 2.6 t -72.7 -39.93 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.843 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.541 HD13 ' CA ' ' A' ' 39' ' ' TYR . 34.1 mt -63.28 -40.08 96.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.918 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -69.38 -44.11 72.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -63.59 -54.14 40.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.571 HD12 HD11 ' D' ' 112' ' ' LEU . 68.8 mt -52.16 -57.33 9.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.967 0.413 . . . . 0.0 110.604 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.631 ' CB ' HD12 ' A' ' 35' ' ' LEU . 3.6 tmm_? -50.03 -37.81 34.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.015 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.12 -48.23 87.16 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.168 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.749 ' HB3' HD22 ' D' ' 100' ' ' LEU . 13.7 mttm -61.37 -35.71 78.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.716 0.293 . . . . 0.0 111.005 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.849 HD23 HD21 ' D' ' 100' ' ' LEU . 24.6 mt -65.09 -50.45 66.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.952 0.406 . . . . 0.0 110.681 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.86 -27.02 66.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.173 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.58 -33.26 28.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.578 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -81.6 -30.19 33.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.364 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.63 23.56 4.34 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.411 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -114.74 80.56 1.43 Allowed 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.013 0.435 . . . . 0.0 110.028 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.69 23.58 6.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.209 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -92.99 -44.47 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.677 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.608 ' HB3' HD11 ' D' ' 96' ' ' ILE . 4.4 mp0 -72.83 -23.39 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.404 ' ND2' ' HG2' ' A' ' 20' ' ' ARG . 4.1 m120 -46.86 -47.61 21.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.696 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.77 -33.13 66.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.953 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HA ' ' CD1' ' D' ' 84' ' ' LEU . 3.2 mmmm -75.12 -39.52 60.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.954 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.631 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.8 mt -68.64 -32.59 72.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.228 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -33.89 62.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.103 0.478 . . . . 0.0 109.889 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.971 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -74.39 -48.14 29.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.507 179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.738 ' CE2' HD11 ' A' ' 42' ' ' LEU . 45.1 t80 -62.26 -51.89 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.33 0.586 . . . . 0.0 109.889 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.566 ' HB2' ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.86 -53.87 49.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.778 179.607 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -57.83 -47.64 82.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.845 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.46 ' CG2' ' CD2' ' A' ' 47' ' ' PHE . 78.4 m -58.37 -36.39 73.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.577 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.83 HD22 ' HD2' ' A' ' 9' ' ' LYS . 7.6 mt -65.65 -34.01 77.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.297 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.473 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -80.08 -27.29 39.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.325 -179.747 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.86 138.47 2.31 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.509 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.04 -48.86 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.521 2.147 . . . . 0.0 112.36 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.76 HD11 HD11 ' C' ' 57' ' ' ILE . 2.7 tp -63.52 -46.06 87.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.989 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.923 ' CE1' HD21 ' A' ' 51' ' ' LEU . 22.5 t80 -57.58 -46.84 83.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.35 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -55.84 -39.25 71.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.285 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -42.29 96.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.37 179.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.786 HG12 HD21 ' C' ' 53' ' ' LEU . 4.0 mt -59.84 -42.77 90.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.738 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.923 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -69.45 -37.59 77.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.471 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 83.9 m -53.71 -48.9 69.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.185 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.769 HD21 HG12 ' C' ' 50' ' ' ILE . 1.1 tt -61.78 -51.06 69.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.037 179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.653 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -58.87 -31.1 68.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.599 179.681 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -66.72 -39.5 88.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.219 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -39.52 93.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.845 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.677 HG21 HG21 ' B' ' 131' ' ' ILE . 1.5 mt -62.5 -41.0 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.273 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -59.19 -43.83 92.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.331 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -58.98 -42.42 89.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.385 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.592 HD13 HD21 ' C' ' 46' ' ' LEU . 2.1 mt -58.64 -41.43 86.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.781 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.624 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 8.8 mtmm -63.96 -44.6 92.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.48 -33.07 67.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -76.01 -49.41 17.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.794 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -59.71 106.59 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.1 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.738 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.751 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.991 0.424 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.751 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -178.83 51.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.96 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.47 132.58 47.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.024 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.683 HG22 ' H ' ' B' ' 84' ' ' LEU . 1.2 mm -88.22 -172.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.355 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.779 ' CD2' HD22 ' B' ' 89' ' ' LEU . 13.6 tp -153.32 -36.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.502 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.58 108.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.937 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -52.81 -26.17 10.2 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.448 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.149 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.75 -49.12 76.29 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.074 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -34.07 60.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.258 0.551 . . . . 0.0 109.694 178.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.779 HD22 ' CD2' ' B' ' 84' ' ' LEU . 0.1 OUTLIER -71.23 -29.24 64.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.397 179.298 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 8.8 t80 -72.23 -50.48 27.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.028 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 1.1 m -63.74 -27.08 68.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.492 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 47.0 m -65.52 -50.82 63.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.666 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.771 ' HA ' HD12 ' B' ' 96' ' ' ILE . 0.8 OUTLIER -59.69 -38.93 82.92 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.676 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.418 ' HE3' ' CE1' ' B' ' 90' ' ' PHE . 1.1 mptm? -59.4 -38.65 81.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.578 179.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' B' ' 95' ' ' HIS . 0.6 OUTLIER -70.26 -49.14 52.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.161 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' B' ' 93' ' ' LEU . 17.3 mt -53.52 -45.51 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.117 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.848 ' HA ' HD13 ' B' ' 109' ' ' ILE . 1.4 tt0 -58.62 -49.1 78.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.021 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -1.08 48.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 110.586 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . 0.437 ' HB ' ' HA ' ' B' ' 96' ' ' ILE . 1.8 m -101.23 -31.52 10.96 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.453 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 1.002 HD21 HD23 ' C' ' 23' ' ' LEU . 53.3 mt -92.07 -50.25 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.191 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 42.52 39.46 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.522 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' B' ' 104' ' ' GLN . 0.6 OUTLIER -101.16 20.1 16.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 179.731 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.2 t 65.73 -71.69 0.08 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.796 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' B' ' 102' ' ' ASP . 65.6 tp60 -59.95 -30.6 69.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.171 0.51 . . . . 0.0 110.048 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.802 ' O ' HD12 ' B' ' 109' ' ' ILE . 2.5 m -70.31 -39.95 74.49 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.534 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.17 -33.91 76.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.015 0.436 . . . . 0.0 110.244 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -40.96 72.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.499 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.761 ' HB3' HG13 ' C' ' 15' ' ' VAL . 50.6 m-20 -70.61 -43.65 68.88 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.974 HD11 HD12 ' B' ' 100' ' ' LEU . 5.4 mt -59.43 -49.2 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.369 178.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.587 ' HA ' HD12 ' B' ' 113' ' ' LEU . 1.1 m -56.69 -34.29 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.07 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.602 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -58.01 -51.29 70.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.994 178.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.834 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.3 mt -63.66 -40.62 97.3 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.652 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.4 mt -58.46 -43.97 89.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.728 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.425 ' HA ' ' OE1' ' B' ' 117' ' ' GLN . 4.9 mt-30 -61.01 -47.44 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.992 0.425 . . . . 0.0 110.693 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.458 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.5 mp -61.24 -46.15 91.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.728 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.937 HG13 HG12 ' B' ' 86' ' ' ILE . 84.8 t -59.95 -47.58 91.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.215 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.527 ' HG2' ' CZ ' ' B' ' 90' ' ' PHE . 5.7 mt-30 -71.65 -23.63 61.72 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.553 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 19.1 t-20 -51.48 127.46 20.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . 0.567 ' HE3' ' HB1' ' D' ' 130' ' ' ALA . 2.7 tttm -52.93 -59.04 5.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.143 -178.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.52 -50.42 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.117 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.553 ' HB3' ' HB3' ' B' ' 118' ' ' ASN . 11.3 t80 -56.01 -51.19 68.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -39.64 60.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.461 ' O ' HG13 ' B' ' 127' ' ' ILE . 4.0 m-20 -67.37 -46.89 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.639 ' HB2' ' NE2' ' C' ' 54' ' ' GLN . . . -56.58 -48.97 76.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.669 ' CG ' HD12 ' B' ' 86' ' ' ILE . 13.2 t80 -60.72 -36.76 79.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.055 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -38.98 91.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.542 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.67 HG22 HD12 ' B' ' 131' ' ' ILE . 6.8 mt -64.7 -49.3 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.996 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.605 ' O ' ' HB ' ' B' ' 132' ' ' THR . 15.4 t-80 -67.34 -30.61 70.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.181 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.894 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.4 t30 -64.27 -60.83 2.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.06 -52.1 46.31 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.677 HG21 HG21 ' A' ' 57' ' ' ILE . 50.2 mt -53.59 -36.8 29.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.524 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.605 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.9 OUTLIER -61.64 -52.42 64.44 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.807 0.813 . . . . 0.0 108.823 178.062 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.894 HG23 ' O ' ' B' ' 129' ' ' ASN . 15.5 t -54.53 -47.89 70.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.449 -1.251 . . . . 0.0 110.648 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -63.81 -32.6 74.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.534 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 29.7 ttm -57.84 -56.79 17.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.814 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -67.49 -34.78 77.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.97 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -31.09 67.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -66.23 96.28 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 m120 . . . . . 0 CA--C 1.527 0.093 0 CA-C-O 120.767 0.318 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -68.75 -40.65 6.84 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.669 2.246 . . . . 0.0 111.963 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.67 -27.17 10.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.376 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.59 81.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.587 ' O ' HG23 ' C' ' 12' ' ' VAL . 1.6 mm-40 -68.05 -49.05 63.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 5.4 ttpt -58.76 -44.31 90.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.713 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 3.7 tpt -61.23 -39.25 89.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.995 0.426 . . . . 0.0 109.864 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.555 ' O ' HG23 ' C' ' 15' ' ' VAL . 33.2 tp60 -72.41 -32.77 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.528 178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.602 HG22 HD23 ' B' ' 111' ' ' LEU . 21.8 t -62.45 -55.11 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.467 179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.886 ' HA ' HD12 ' C' ' 16' ' ' LEU . 16.5 mt -57.95 -44.44 86.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.929 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -28.38 68.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.643 178.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.833 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.2 t -72.93 -40.51 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.833 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.886 HD12 ' HA ' ' C' ' 13' ' ' LEU . 6.1 mt -62.23 -40.0 94.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.37 -43.37 73.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.776 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -54.4 39.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.545 HD12 HD11 ' B' ' 112' ' ' LEU . 79.5 mt -52.26 -53.92 37.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 110.571 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.717 ' CA ' HD12 ' C' ' 35' ' ' LEU . 3.2 tpt85 -49.91 -41.69 46.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.667 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.3 -48.42 83.7 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.029 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.595 ' CB ' HD22 ' B' ' 100' ' ' LEU . 6.3 mmtp -57.01 -38.53 73.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.017 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 1.002 HD23 HD21 ' B' ' 100' ' ' LEU . 23.6 mt -64.41 -50.53 67.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.781 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -26.81 62.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.413 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.43 -33.24 28.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.616 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.413 ' HD2' ' O ' ' C' ' 22' ' ' LYS . 6.5 mptt -81.81 -32.44 31.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.418 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.39 12.94 7.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.659 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 2.9 m-20 -103.87 79.66 1.67 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 110.097 179.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.23 17.23 8.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.15 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 51.6 m -87.31 -51.28 6.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.494 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -72.21 -24.74 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.604 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -46.75 -47.6 20.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.018 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.86 -32.47 65.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.98 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -70.18 -39.33 75.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.114 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.717 HD12 ' CA ' ' C' ' 20' ' ' ARG . 3.3 mt -65.63 -33.15 75.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.387 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.15 -33.95 56.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.909 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.733 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -72.47 -42.35 65.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.515 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.502 ' HD2' HD21 ' C' ' 16' ' ' LEU . 3.2 t80 -73.63 -38.94 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.549 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.766 ' HA ' HD13 ' C' ' 16' ' ' LEU . 28.4 t80 -66.06 -53.64 35.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.112 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.441 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 12.8 mt-10 -60.24 -45.34 93.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.895 HG22 ' CD2' ' C' ' 47' ' ' PHE . 87.8 m -56.41 -43.33 79.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.403 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.546 ' HB3' HD21 ' C' ' 13' ' ' LEU . 3.0 mt -59.19 -37.04 76.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.041 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.48 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.5 OUTLIER -73.99 -29.03 61.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.883 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.08 142.02 4.23 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.15 -46.31 1.11 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.44 2.093 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.592 HD21 HD13 ' A' ' 60' ' ' LEU . 3.2 mm? -57.91 -55.37 35.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.038 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.895 ' CD2' HG22 ' C' ' 41' ' ' THR . 1.9 t80 -54.87 -47.64 73.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.857 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.61 -33.54 64.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.416 ' HB3' HD11 ' A' ' 53' ' ' LEU . 9.2 tt0 -70.47 -37.78 74.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.576 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.769 HG12 HD21 ' A' ' 53' ' ' LEU . 31.5 mt -64.68 -42.54 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.012 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.788 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -68.38 -37.89 80.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.862 0.363 . . . . 0.0 110.17 179.634 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 62.8 m -53.95 -49.01 69.68 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.786 HD21 HG12 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -59.19 -43.29 92.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.461 178.412 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.639 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 0.0 OUTLIER -62.43 -33.2 74.33 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.63 178.71 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.16 -40.7 94.87 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.801 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 14.4 t -60.85 -50.55 72.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.863 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.892 HG21 HG21 ' D' ' 131' ' ' ILE . 49.7 mt -59.91 -35.85 63.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.931 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -40.07 87.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.205 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -39.32 92.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.125 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' C' ' 57' ' ' ILE . 2.3 mt -55.99 -47.23 78.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.607 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.592 ' HE3' HG23 ' D' ' 131' ' ' ILE . 0.0 OUTLIER -65.52 -44.08 88.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.867 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.13 -48.47 85.78 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -59.78 -43.45 94.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.433 HD12 ' O ' ' C' ' 60' ' ' LEU . 2.0 mt -81.24 96.7 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.83 0.348 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . . . . . . . . . 31.1 m 42.02 53.93 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.153 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -65.55 144.86 56.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.499 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.718 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.0 OUTLIER -99.27 -169.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.327 0.584 . . . . 0.0 111.436 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 0.971 HD13 ' HB3' ' A' ' 37' ' ' ALA . 2.6 tp 179.64 53.39 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.163 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' D' ' 84' ' ' LEU . 0.6 OUTLIER -34.39 121.05 0.48 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.476 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.938 HG12 HG13 ' D' ' 116' ' ' VAL . 0.7 OUTLIER -48.91 -28.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.356 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.33 -50.37 74.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.191 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -37.11 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.279 0.561 . . . . 0.0 109.646 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.855 HD23 HG13 ' D' ' 86' ' ' ILE . 0.1 OUTLIER -66.8 -29.3 69.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.224 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 0.2 OUTLIER -69.46 -50.02 49.51 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.204 0.526 . . . . 0.0 109.601 178.756 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 91.1 p -58.65 -31.22 67.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.028 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . 0.543 ' C ' HD12 ' D' ' 96' ' ' ILE . 0.3 OUTLIER -63.82 -52.43 60.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.452 179.523 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.732 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -61.65 -40.58 95.42 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.328 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . 0.428 ' HE2' HD22 ' D' ' 113' ' ' LEU . 33.5 mmtt -59.81 -38.73 82.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.497 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . 0.4 ' CD2' ' CD ' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -72.2 -48.74 40.83 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.335 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.716 HG23 HD21 ' A' ' 23' ' ' LEU . 14.1 mt -54.6 -44.49 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.522 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.915 ' HA ' HD13 ' D' ' 109' ' ' ILE . 14.7 pt20 -61.76 -44.57 96.63 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.654 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . 0.411 ' N ' ' HG3' ' D' ' 97' ' ' GLN . 1.0 OUTLIER -84.31 -0.88 54.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.919 0.39 . . . . 0.0 110.564 179.162 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' D' ' 96' ' ' ILE . 1.3 m -101.44 -33.93 9.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.401 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 1.096 HD12 HD11 ' D' ' 109' ' ' ILE . 75.7 mt -87.67 -50.81 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.466 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 42.35 41.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.503 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' D' ' 104' ' ' GLN . 0.5 OUTLIER -103.92 21.3 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.628 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.38 -73.27 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.555 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' D' ' 102' ' ' ASP . 0.0 OUTLIER -58.76 -29.85 67.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.14 0.495 . . . . 0.0 109.811 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.83 ' O ' HD12 ' D' ' 109' ' ' ILE . 1.6 m -69.83 -42.25 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.364 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -31.38 72.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.092 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.6 -41.6 68.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.757 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.812 ' HB3' HG13 ' A' ' 15' ' ' VAL . 24.8 m-20 -70.58 -44.82 66.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 1.096 HD11 HD12 ' D' ' 100' ' ' LEU . 5.2 mt -59.64 -49.04 85.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.441 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.6 ' HA ' HD12 ' D' ' 113' ' ' LEU . 27.9 t -56.67 -33.81 66.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.067 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.646 HD23 HG22 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -59.26 -51.32 70.45 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.039 179.125 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.877 ' O ' HG23 ' D' ' 116' ' ' VAL . 2.5 mt -61.7 -43.15 99.41 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.636 ' CD1' HG22 ' D' ' 109' ' ' ILE . 4.5 mt -55.87 -49.61 72.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.589 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . 0.421 ' HA ' ' CG ' ' D' ' 117' ' ' GLN . 6.7 mt-30 -61.32 -43.12 99.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.229 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.706 ' CD2' HG21 ' A' ' 12' ' ' VAL . 1.9 mp -61.08 -40.05 92.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.567 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.938 HG13 HG12 ' D' ' 86' ' ' ILE . 64.2 t -66.13 -53.85 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.407 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' D' ' 113' ' ' LEU . 0.2 OUTLIER -65.15 -16.29 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.844 -179.484 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 1.0 OUTLIER -54.07 129.38 34.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.736 0.303 . . . . 0.0 110.698 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -58.63 7.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.584 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -44.7 88.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.485 ' CG ' ' O ' ' D' ' 115' ' ' LEU . 19.1 t80 -60.14 -56.14 25.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.573 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . 0.559 ' NE2' HG21 ' D' ' 86' ' ' ILE . 0.2 OUTLIER -52.67 -31.88 39.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.435 179.54 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.451 ' HB3' HD13 ' B' ' 127' ' ' ILE . 14.6 m-20 -66.42 -49.83 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.768 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.653 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.867 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.45 ' CD1' HD12 ' D' ' 86' ' ' ILE . 4.5 t80 -59.82 -34.6 73.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.063 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -41.62 87.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.857 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 0.63 HD11 ' CD1' ' B' ' 127' ' ' ILE . 55.6 mt -61.3 -49.74 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.984 0.421 . . . . 0.0 110.876 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.7 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.6 t-80 -66.28 -45.54 80.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.162 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.902 ' O ' HG23 ' D' ' 133' ' ' VAL . 1.3 t30 -54.91 -60.19 3.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . 0.567 ' HB1' ' HE3' ' B' ' 119' ' ' LYS . . . -60.74 -52.15 66.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.892 HG21 HG21 ' C' ' 57' ' ' ILE . 82.2 mt -57.29 -42.7 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.322 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.718 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -62.08 -46.39 89.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.184 0.516 . . . . 0.0 109.879 179.218 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.902 HG23 ' O ' ' D' ' 129' ' ' ASN . 88.5 t -52.78 -51.19 38.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.651 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -30.72 71.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.303 179.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 22.3 ttm -56.09 -61.89 2.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.987 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -64.94 -39.08 92.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.991 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -60.54 -65.0 0.76 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 61.12 46.16 8.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 CA--C 1.528 0.135 0 CA-C-O 120.694 0.283 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.28 -26.69 44.32 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.71 2.273 . . . . 0.0 112.339 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.05 -29.82 67.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.92 -45.29 90.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.04 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.587 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.4 mm-40 -60.45 -52.91 63.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -57.85 -43.53 85.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.572 179.687 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.3 mmt -61.46 -45.53 93.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.042 0.449 . . . . 0.0 109.878 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.658 ' O ' HG23 ' A' ' 15' ' ' VAL . 28.8 tp60 -66.19 -32.85 74.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.734 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 8' ' ' GLU . 12.7 t -59.94 -54.98 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.644 179.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.877 ' HA ' HD12 ' A' ' 16' ' ' LEU . 18.5 mt -56.73 -45.53 81.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -29.34 68.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.854 HG11 HD21 ' D' ' 112' ' ' LEU . 3.3 t -72.46 -36.11 53.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.622 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 13' ' ' LEU . 11.5 mt -64.16 -43.58 94.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.717 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.74 -48.27 79.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.855 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -54.91 41.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.432 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.715 HD22 HD12 ' D' ' 100' ' ' LEU . 91.6 mt -55.34 -54.64 41.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.52 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.624 ' N ' HD12 ' A' ' 35' ' ' LEU . 4.4 tmm_? -51.66 -37.24 49.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.929 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.64 -48.94 83.73 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.124 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.525 ' HB3' HD22 ' D' ' 100' ' ' LEU . 9.9 mttm -59.9 -41.12 90.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.57 0.224 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 31.6 mt -57.0 -50.38 72.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.162 0.505 . . . . 0.0 110.375 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -61.37 -26.5 67.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.129 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.75 -33.28 27.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.05 0.452 . . . . 0.0 110.548 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' D' ' 100' ' ' LEU . 0.0 OUTLIER -81.18 -33.26 33.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.436 -179.734 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.05 -12.35 9.21 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.521 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -76.43 79.17 3.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 109.934 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.568 HG22 HD21 ' A' ' 32' ' ' ASN . 0.3 OUTLIER -89.57 23.95 2.45 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.708 179.419 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.9 m -101.57 -48.44 4.33 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.435 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -75.08 -24.86 58.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.742 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.568 HD21 HG22 ' A' ' 29' ' ' THR . 33.8 p-10 -53.04 -43.98 67.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.683 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.11 -32.78 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.164 0.507 . . . . 0.0 110.056 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -66.7 -45.3 79.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.149 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 20' ' ' ARG . 2.0 mt -60.88 -31.03 70.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.447 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.0 m -77.19 -36.27 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.88 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.088 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -69.29 -42.42 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.279 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' HD2' HD21 ' A' ' 16' ' ' LEU . 46.0 t80 -71.41 -51.06 26.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.016 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.635 ' CA ' HD13 ' A' ' 16' ' ' LEU . 9.1 t80 -55.28 -54.24 46.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.471 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HA ' ' HG3' ' A' ' 43' ' ' LYS . 6.5 mm-40 -59.97 -52.6 64.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.099 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.3 m -54.75 -29.2 53.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.011 0.434 . . . . 0.0 110.255 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -69.78 -36.01 75.38 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.405 179.246 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.859 ' HE2' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -68.57 -31.5 70.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.26 179.689 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.1 m -44.59 130.27 4.96 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.241 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.11 -39.55 7.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.524 2.15 . . . . 0.0 112.397 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.717 HD11 HD11 ' C' ' 57' ' ' ILE . 1.7 tp -62.13 -50.66 71.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.213 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CE1' HD21 ' A' ' 51' ' ' LEU . 10.7 t80 -57.7 -42.0 82.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.569 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -57.14 -40.59 77.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.319 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.517 ' NE2' HD12 ' C' ' 53' ' ' LEU . 0.0 OUTLIER -62.38 -40.21 95.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.229 179.476 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.795 HG12 HD21 ' C' ' 53' ' ' LEU . 3.9 mt -58.1 -46.58 88.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.732 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.607 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -63.98 -38.0 89.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.268 179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.8 m -53.77 -51.54 63.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.458 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.03 -48.77 79.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.18 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.717 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -58.88 -34.59 71.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.563 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -40.29 96.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.288 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -41.78 99.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.858 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.782 HG21 HG21 ' B' ' 131' ' ' ILE . 1.7 mt -60.25 -41.24 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.151 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -59.16 -41.45 88.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.843 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.39 89.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.165 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.687 ' CD1' HD21 ' C' ' 46' ' ' LEU . 1.2 mt -57.47 -43.74 84.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.551 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -65.63 -29.91 70.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.33 7.91 43.95 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.183 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -159.24 29.11 0.2 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.857 0.329 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -55.34 126.93 27.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.02 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.026 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.758 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.648 0.261 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.758 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -173.55 -71.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.438 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.486 ' H ' HG23 ' B' ' 81' ' ' VAL . 1.5 mmtp 62.52 145.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.686 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.694 HD12 ' CG2' ' B' ' 132' ' ' THR . 0.0 OUTLIER -99.64 -160.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 0.0 111.088 -179.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 1.022 HD13 ' HB3' ' C' ' 37' ' ' ALA . 27.5 tp -159.83 -33.95 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.284 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' B' ' 84' ' ' LEU . 0.3 OUTLIER 53.55 109.27 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.843 0.354 . . . . 0.0 111.014 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.976 HG12 HG13 ' B' ' 116' ' ' VAL . 0.8 OUTLIER -52.03 -25.57 6.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.928 -179.365 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.68 -45.5 89.78 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.297 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -34.41 49.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.786 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.13 -30.45 65.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.37 179.317 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.564 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 15.4 t80 -72.19 -48.85 40.06 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.852 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.71 -31.27 71.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.54 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . 0.84 ' O ' HD12 ' B' ' 96' ' ' ILE . 4.6 t -62.4 -53.43 54.99 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.389 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.6 OUTLIER -56.14 -36.23 68.02 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.315 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.447 ' HA ' ' HG2' ' B' ' 97' ' ' GLN . 22.4 mmtt -59.89 -38.95 83.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.834 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.415 ' CD2' ' HG2' ' C' ' 31' ' ' GLN . 2.2 t60 -72.25 -53.15 13.38 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.84 HD12 ' O ' ' B' ' 92' ' ' SER . 3.6 mt -54.48 -34.97 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.947 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.905 ' HA ' HD13 ' B' ' 109' ' ' ILE . 5.3 pt20 -70.11 -40.18 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.435 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.468 ' N ' ' HG3' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -80.8 -21.02 41.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.302 179.039 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -85.06 -40.15 17.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.025 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.789 HD12 HD11 ' B' ' 109' ' ' ILE . 68.8 mt -95.07 88.22 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.97 35.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.5 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.19 13.69 18.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.858 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 69.42 -67.56 0.22 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.838 0.351 . . . . 0.0 111.327 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -56.07 -33.13 64.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.698 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.752 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.3 OUTLIER -68.54 -39.01 81.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.695 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.54 -34.12 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.269 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' B' ' 108' ' ' ASP . 0.0 OUTLIER -70.3 -39.79 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.51 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.781 ' HB3' HG13 ' C' ' 15' ' ' VAL . 18.7 m-20 -70.94 -44.29 66.44 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.905 HD13 ' HA ' ' B' ' 97' ' ' GLN . 5.9 mt -58.97 -49.14 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.662 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.606 ' HA ' HD12 ' B' ' 113' ' ' LEU . 26.7 t -55.27 -37.57 67.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.237 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.408 ' CD2' HG22 ' C' ' 12' ' ' VAL . 2.4 tt -57.02 -51.12 70.53 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.02 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.857 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.9 mt -61.37 -42.11 98.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.633 ' CD1' HG22 ' B' ' 109' ' ' ILE . 4.8 mt -57.05 -46.98 82.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.718 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . 0.404 ' HA ' ' CG ' ' B' ' 117' ' ' GLN . 4.5 mt-30 -60.82 -43.66 97.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.593 ' CD2' HG21 ' C' ' 12' ' ' VAL . 6.4 mp -61.13 -42.24 98.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.326 0.584 . . . . 0.0 109.485 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.976 HG13 HG12 ' B' ' 86' ' ' ILE . 72.0 t -63.28 -53.66 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.592 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' B' ' 113' ' ' LEU . 0.2 OUTLIER -64.64 -19.74 65.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.727 -179.238 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.471 ' HB3' ' HB3' ' B' ' 121' ' ' PHE . 36.2 t30 -56.31 146.04 25.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.776 0.322 . . . . 0.0 110.564 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -58.61 3.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.865 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.36 -50.39 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.959 0.409 . . . . 0.0 111.137 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 10.0 t80 -58.53 -43.95 89.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.517 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.9 -35.48 66.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.692 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.47 ' O ' HG13 ' B' ' 127' ' ' ILE . 1.4 m-80 -68.04 -51.75 43.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.603 ' HA ' HG21 ' C' ' 50' ' ' ILE . . . -56.87 -39.66 74.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.07 0.462 . . . . 0.0 111.06 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.573 ' CG ' HD12 ' B' ' 86' ' ' ILE . 10.4 t80 -68.76 -39.42 80.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.428 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -43.73 74.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.223 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 1.03 ' CD1' HD11 ' D' ' 127' ' ' ILE . 60.4 mt -60.05 -50.01 81.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.693 ' O ' ' HB ' ' B' ' 132' ' ' THR . 26.8 t-80 -62.08 -46.73 87.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.003 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.93 ' O ' HG23 ' B' ' 133' ' ' VAL . 1.9 m-80 -55.2 -60.71 3.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.976 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . 0.655 ' HB1' ' HE2' ' D' ' 119' ' ' LYS . . . -61.47 -52.16 65.67 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.782 HG21 HG21 ' A' ' 57' ' ' ILE . 42.8 mt -56.65 -42.04 75.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.179 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.694 ' CG2' HD12 ' B' ' 83' ' ' ILE . 0.5 OUTLIER -59.64 -42.83 93.64 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.93 HG23 ' O ' ' B' ' 129' ' ' ASN . 45.3 t -52.72 -50.0 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.393 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -63.5 -31.7 72.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.107 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.22 -42.19 85.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.599 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . 0.464 HD21 HG23 ' B' ' 81' ' ' VAL . 56.8 m-20 -73.7 -37.25 65.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.89 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -56.36 22.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.002 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.62 121.3 10.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.885 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.563 0.221 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.88 -29.53 23.13 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.485 2.123 . . . . 0.0 112.372 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.92 -33.11 63.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.47 93.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.802 ' O ' HG23 ' C' ' 12' ' ' VAL . 3.9 mt-10 -66.47 -45.0 81.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.413 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 0.1 OUTLIER -59.16 -44.17 92.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 1.6 tpt -61.57 -49.27 77.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.017 0.437 . . . . 0.0 110.023 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.773 ' O ' HG23 ' C' ' 15' ' ' VAL . 27.1 tp60 -63.05 -33.62 75.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.698 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.802 HG23 ' O ' ' C' ' 8' ' ' GLU . 23.7 t -60.18 -55.51 23.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.586 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.784 ' HA ' HD12 ' C' ' 16' ' ' LEU . 14.2 mt -53.88 -43.88 69.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 110.361 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.7 -28.23 66.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.92 178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.781 HG13 ' HB3' ' B' ' 108' ' ' ASP . 16.1 t -74.07 -39.1 50.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.091 179.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' C' ' 13' ' ' LEU . 7.9 mt -64.5 -41.44 96.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.925 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -69.33 -44.11 72.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.695 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -54.14 39.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.06 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.677 HD12 HD11 ' B' ' 112' ' ' LEU . 70.9 mt -53.86 -57.4 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 0.0 110.787 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.747 ' N ' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -55.57 -29.84 59.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.799 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.3 -45.95 88.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.816 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.441 ' HB3' HD22 ' B' ' 100' ' ' LEU . 2.5 mtpp -62.28 -38.34 88.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.731 0.301 . . . . 0.0 110.711 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.657 HD21 HG23 ' B' ' 96' ' ' ILE . 26.9 mt -60.8 -50.14 74.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.962 0.411 . . . . 0.0 110.357 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.419 ' HG3' ' ND2' ' C' ' 32' ' ' ASN . 0.0 OUTLIER -58.94 -29.31 67.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.894 179.091 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -82.45 -31.78 29.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.544 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.462 ' CE ' HD23 ' B' ' 100' ' ' LEU . 0.6 OUTLIER -81.38 -29.77 33.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.078 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.26 21.19 4.15 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.659 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -116.74 83.59 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.151 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.18 17.51 10.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.391 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 2.8 m -93.89 -46.73 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.416 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.583 ' HB3' HD11 ' B' ' 96' ' ' ILE . 4.5 mp0 -73.02 -22.3 60.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.774 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . 0.419 ' ND2' ' HG3' ' C' ' 24' ' ' GLN . 2.5 m-20 -56.71 -40.03 74.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -56.89 -32.8 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.114 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -73.35 -41.87 62.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.249 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.747 HD12 ' N ' ' C' ' 20' ' ' ARG . 1.3 mt -67.47 -33.26 74.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.415 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 17.7 m -75.5 -31.2 60.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.819 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 1.022 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -74.63 -49.33 21.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.357 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.711 ' CE1' HD11 ' C' ' 42' ' ' LEU . 2.1 t80 -63.37 -47.3 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.277 0.561 . . . . 0.0 110.035 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.668 ' HA ' HD13 ' C' ' 16' ' ' LEU . 47.9 t80 -56.63 -53.89 52.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.2 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.434 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 0.8 OUTLIER -62.71 -44.3 96.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.65 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.691 HG22 ' CD2' ' C' ' 47' ' ' PHE . 87.9 m -59.8 -34.39 72.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.527 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.711 HD11 ' CE1' ' C' ' 38' ' ' PHE . 3.6 mt -68.99 -34.36 75.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.059 0.457 . . . . 0.0 110.228 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.455 ' HD3' ' CE1' ' C' ' 39' ' ' TYR . 0.5 OUTLIER -74.89 -31.01 61.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.0 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -46.61 146.38 2.53 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.356 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.89 -45.65 2.01 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.578 2.185 . . . . 0.0 112.365 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.687 HD21 ' CD1' ' A' ' 60' ' ' LEU . 3.7 mm? -57.93 -55.34 36.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.819 ' CD1' HD21 ' C' ' 51' ' ' LEU . 8.5 t80 -52.66 -50.6 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -55.4 -34.1 64.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.294 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -67.89 -41.92 82.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.949 0.404 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.603 HG21 ' HA ' ' B' ' 124' ' ' ALA . 3.0 mt -63.0 -36.83 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.819 HD21 ' CD1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -69.67 -36.61 76.17 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.497 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -56.22 -47.74 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.795 HD21 HG12 ' A' ' 50' ' ' ILE . 1.2 tp -61.41 -44.24 97.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.69 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -35.33 76.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.88 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -62.77 -36.42 83.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.607 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 35.3 m -60.77 -52.18 66.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.701 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 1.04 HG21 HG21 ' D' ' 131' ' ' ILE . 52.6 mt -60.26 -35.77 64.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.796 178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -35.26 74.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.613 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -39.98 82.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.839 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.6 mt -53.21 -52.33 59.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.559 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.757 ' HA ' HD12 ' C' ' 64' ' ' LEU . 0.0 OUTLIER -64.68 -35.21 80.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.066 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.66 -22.04 65.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.921 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.94 -39.98 33.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 110.984 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' C' ' 61' ' ' LYS . 2.2 mt -56.32 -61.28 2.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . 0.825 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.522 -0.115 0 CA-C-O 120.608 0.242 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . 0.825 HG13 ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER -177.61 77.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.111 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.11 149.17 24.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.753 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.564 ' N ' HD13 ' D' ' 83' ' ' ILE . 1.1 mm -88.43 169.18 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.322 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 1.088 HD13 ' HB3' ' A' ' 37' ' ' ALA . 54.8 tp -120.36 -40.29 2.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.997 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.51 104.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.839 HG12 HG13 ' D' ' 116' ' ' VAL . 0.7 OUTLIER -49.86 -27.01 3.16 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.375 -179.628 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -48.89 79.03 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.221 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -35.5 60.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.78 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.705 ' O ' HD12 ' D' ' 89' ' ' LEU . 0.1 OUTLIER -71.34 -28.37 64.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.45 179.455 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.532 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 1.9 t80 -72.51 -50.28 27.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.858 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 8.5 t -63.36 -27.99 69.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.43 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . 0.433 ' C ' HD12 ' D' ' 96' ' ' ILE . 63.9 m -64.73 -52.48 56.85 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.731 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.694 HD21 HD12 ' D' ' 89' ' ' LEU . 0.8 OUTLIER -57.22 -37.92 72.98 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -59.44 -38.08 79.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.378 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' D' ' 99' ' ' THR . 1.8 t60 -69.79 -54.42 13.72 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' D' ' 93' ' ' LEU . 7.0 mt -51.02 -39.8 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.923 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.815 ' HA ' HD13 ' D' ' 109' ' ' ILE . 2.3 tt0 -62.81 -47.7 82.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.797 0.332 . . . . 0.0 110.921 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.11 -16.03 57.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.579 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . 0.449 HG22 HD23 ' D' ' 100' ' ' LEU . 1.2 m -87.26 -34.85 18.79 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.506 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.715 HD12 HD22 ' A' ' 19' ' ' LEU . 13.7 mt -90.11 -57.16 2.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.167 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.0 33.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.556 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.15 25.2 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.61 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t 66.74 -71.8 0.09 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.597 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -27.92 68.81 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.758 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.8 OUTLIER -72.55 -47.28 49.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.859 179.411 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -64.46 -30.42 71.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.754 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -39.62 63.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.076 0.465 . . . . 0.0 110.048 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.748 ' HB3' HG13 ' A' ' 15' ' ' VAL . 43.8 m-20 -70.85 -42.88 69.55 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.815 HD13 ' HA ' ' D' ' 97' ' ' GLN . 6.4 mt -62.31 -49.09 85.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.587 178.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.631 ' HA ' HD12 ' D' ' 113' ' ' LEU . 33.3 m -54.81 -37.23 65.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.208 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.49 HD23 HD23 ' D' ' 112' ' ' LEU . 6.2 tt -61.0 -45.22 95.71 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.854 HD21 HG11 ' A' ' 15' ' ' VAL . 4.2 mt -63.57 -41.19 98.4 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' D' ' 110' ' ' SER . 3.0 mt -60.43 -43.24 96.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.448 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . 0.571 ' HG3' ' N ' ' D' ' 115' ' ' LEU . 0.0 OUTLIER -61.95 -37.24 83.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.38 179.722 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.571 ' N ' ' HG3' ' D' ' 114' ' ' GLN . 4.0 mp -70.53 -50.17 40.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.74 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.839 HG13 HG12 ' D' ' 86' ' ' ILE . 47.3 t -61.08 -37.34 77.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.588 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 15.5 mt-30 -81.93 -20.35 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.645 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -51.59 146.53 7.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.642 0.258 . . . . 0.0 110.652 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . 0.655 ' HE2' ' HB1' ' B' ' 130' ' ' ALA . 0.0 OUTLIER -71.25 -58.76 3.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.395 -179.436 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . 0.404 ' HB3' ' CG ' ' A' ' 54' ' ' GLN . 2.1 m-20 -59.93 -46.07 90.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 111.122 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.5 t80 -56.07 -56.31 22.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 3.1 tt0 -52.98 -35.05 58.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.716 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.459 ' HB3' HG12 ' B' ' 127' ' ' ILE . 0.7 OUTLIER -59.7 -51.34 70.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.717 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -59.61 -49.17 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.695 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.592 ' CZ ' HD23 ' D' ' 84' ' ' LEU . 2.8 t80 -56.86 -36.68 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.703 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 22.6 mmtt -62.76 -40.81 98.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.221 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 1.03 HD11 ' CD1' ' B' ' 127' ' ' ILE . 53.3 mt -58.92 -50.05 80.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.436 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.573 ' O ' ' HB ' ' D' ' 132' ' ' THR . 9.2 t-80 -69.54 -32.0 70.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.793 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.929 ' O ' HG23 ' D' ' 133' ' ' VAL . 1.8 m-20 -64.61 -60.88 2.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.681 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.09 -49.94 58.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.907 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 1.04 HG21 HG21 ' C' ' 57' ' ' ILE . 39.0 mt -53.49 -39.26 36.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.634 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.573 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.15 -52.53 63.45 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.231 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.929 HG23 ' O ' ' D' ' 129' ' ' ASN . 16.4 t -54.03 -44.75 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.774 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -63.22 -32.46 73.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.125 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 19.9 ttm -62.93 -40.5 97.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.442 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -79.9 -36.78 35.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -59.46 5.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.05 83.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 72.1 p . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.916 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.626 0.25 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.8 -51.91 4.31 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.566 2.177 . . . . 0.0 112.194 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.16 -38.6 53.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.426 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.59 -50.67 72.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.964 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.6 mm-40 -64.01 -30.73 71.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -61.66 -48.45 80.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.905 0.383 . . . . 0.0 110.244 179.598 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -38.35 87.99 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.596 ' NE2' HD13 ' D' ' 111' ' ' LEU . 7.7 tm0? -68.56 -32.49 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.644 178.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.619 HG21 HD22 ' D' ' 115' ' ' LEU . 2.7 t -61.76 -51.58 71.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.221 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.837 ' HA ' HD12 ' A' ' 16' ' ' LEU . 15.0 mt -59.29 -40.05 84.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.836 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -28.14 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.615 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.795 HG11 HD21 ' D' ' 112' ' ' LEU . 3.5 t -74.42 -38.44 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.012 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 13' ' ' LEU . 11.6 mt -64.24 -38.88 92.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -72.33 -38.66 68.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.742 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -70.16 -54.2 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.591 HD12 HD11 ' D' ' 112' ' ' LEU . 84.7 mt -53.61 -53.49 51.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.997 0.427 . . . . 0.0 110.408 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.703 ' N ' HD12 ' A' ' 35' ' ' LEU . 4.7 tmm_? -53.11 -43.85 67.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.068 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.24 -42.85 93.63 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.345 -0.931 . . . . 0.0 111.864 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' LYS . 3.5 mttm -61.79 -42.15 98.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.595 0.236 . . . . 0.0 110.738 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.564 HD11 HG12 ' D' ' 96' ' ' ILE . 35.1 mt -58.6 -50.57 73.34 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 110.737 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -32.76 64.21 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -83.14 -26.13 31.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.626 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LYS . 7.9 mttt -82.31 -31.06 30.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.203 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.26 12.45 10.87 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.253 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -107.56 83.94 1.89 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.84 29.82 2.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.0 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -105.46 -51.94 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.509 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -73.71 -23.2 59.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.457 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -49.8 -38.77 35.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.945 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.32 -32.59 72.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.095 0.474 . . . . 0.0 110.027 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -42.89 74.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.347 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.703 HD12 ' N ' ' A' ' 20' ' ' ARG . 1.3 mt -63.58 -30.73 71.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.494 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.7 p -77.4 -38.69 49.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.01 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.797 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -70.52 -39.95 73.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.456 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.45 ' CA ' HD22 ' D' ' 84' ' ' LEU . 2.3 t80 -73.84 -34.04 64.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.34 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.636 ' HA ' HD13 ' A' ' 16' ' ' LEU . 55.8 t80 -69.71 -53.07 20.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.6 -50.13 75.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.044 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.516 HG22 ' CD2' ' A' ' 47' ' ' PHE . 74.3 m -55.4 -45.49 76.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.705 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -58.93 -35.7 73.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.08 0.467 . . . . 0.0 110.391 179.413 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG3' HD13 ' A' ' 13' ' ' LEU . 15.7 mtpt -76.32 -32.86 58.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.461 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 t -44.51 135.84 4.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.331 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.64 -41.34 15.04 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.47 2.113 . . . . 0.0 112.22 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.697 HD11 ' CD1' ' C' ' 57' ' ' ILE . 0.3 OUTLIER -62.13 -52.67 62.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.233 179.639 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.896 ' CE1' HD21 ' A' ' 51' ' ' LEU . 19.3 t80 -57.53 -44.95 85.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.514 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -39.13 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.743 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -62.7 -42.24 99.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.444 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.834 HG12 HD21 ' C' ' 53' ' ' LEU . 34.8 mt -58.54 -45.08 90.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.896 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -69.59 -34.86 74.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.514 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.2 m -53.91 -50.91 65.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.972 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.869 HD21 HG12 ' C' ' 50' ' ' ILE . 0.5 OUTLIER -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.809 178.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -60.14 -31.44 70.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.324 179.35 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -39.96 86.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.212 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -60.81 -45.46 94.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.931 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.79 HG21 HG21 ' B' ' 131' ' ' ILE . 7.0 mt -60.79 -37.18 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.277 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -39.56 86.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.904 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -40.25 96.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.115 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 57' ' ' ILE . 0.8 OUTLIER -55.58 -47.54 76.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.523 179.361 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.432 ' NZ ' HG23 ' B' ' 131' ' ' ILE . 9.6 mtmt -59.07 -52.86 63.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.13 -55.79 28.71 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -59.3 -30.26 68.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.679 0.276 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 60' ' ' LEU . 20.5 mt -89.91 72.34 7.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.886 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.708 ' O ' HG13 ' B' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.861 0.362 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.708 HG13 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER 177.61 71.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.993 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -139.21 143.48 38.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.652 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.58 ' N ' HD13 ' B' ' 83' ' ' ILE . 0.1 OUTLIER -99.42 -159.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 111.101 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.86 HD13 ' HB3' ' C' ' 37' ' ' ALA . 7.8 tp -173.62 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.495 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.81 115.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.904 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -56.98 -26.59 24.96 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.451 -179.856 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.26 -48.01 79.97 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.477 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -34.61 55.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 109.809 178.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.791 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.34 -29.91 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.553 179.549 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.2 t80 -72.55 -48.03 43.44 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 22.5 p -62.57 -30.1 71.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.567 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . 0.828 ' O ' HD12 ' B' ' 96' ' ' ILE . 1.3 m -63.97 -53.26 52.93 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.417 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.735 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.6 OUTLIER -56.35 -36.3 68.62 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.325 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -58.97 -43.55 91.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.671 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -67.36 -55.98 11.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.828 HD12 ' O ' ' B' ' 92' ' ' SER . 4.1 mt -50.93 -33.75 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.19 -0.913 . . . . 0.0 111.072 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.638 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.0 OUTLIER -65.38 -48.92 71.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.973 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -77.28 -22.15 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.382 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -83.06 -33.86 26.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.976 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.661 HD12 HD11 ' B' ' 109' ' ' ILE . 95.4 mt -102.71 85.27 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.94 36.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.286 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -92.79 15.82 13.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.946 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.408 ' HA ' ' HG3' ' B' ' 106' ' ' GLN . 0.5 OUTLIER 68.35 -68.12 0.18 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.779 0.323 . . . . 0.0 111.269 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -36.56 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.048 0.452 . . . . 0.0 110.686 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.796 ' O ' HD12 ' B' ' 109' ' ' ILE . 50.4 m -67.59 -37.56 82.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.408 ' HG3' ' HA ' ' B' ' 103' ' ' SER . 0.5 OUTLIER -63.32 -36.08 82.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.093 0.473 . . . . 0.0 110.195 179.439 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.52 -40.46 80.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.516 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.785 ' CG ' HG22 ' C' ' 15' ' ' VAL . 37.4 m-20 -70.28 -43.39 70.55 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.796 HD12 ' O ' ' B' ' 105' ' ' SER . 4.5 mt -59.28 -49.58 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.623 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.584 ' HA ' HD12 ' B' ' 113' ' ' LEU . 2.9 m -56.94 -34.12 67.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.865 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.652 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.91 -51.5 68.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.937 178.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.837 ' O ' HG23 ' B' ' 116' ' ' VAL . 1.6 mt -63.53 -41.61 98.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.474 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.623 ' CD1' HG22 ' B' ' 109' ' ' ILE . 5.4 mt -57.77 -42.13 83.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.87 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.79 -49.5 76.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.936 0.398 . . . . 0.0 110.567 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.507 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.6 mp -61.79 -48.69 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.128 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.904 HG13 HG12 ' B' ' 86' ' ' ILE . 61.5 t -60.56 -37.27 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.587 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 75.4 mt-30 -85.79 -11.14 54.24 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -60.43 146.62 43.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.68 0.276 . . . . 0.0 110.508 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . 0.738 ' HD2' ' HB1' ' D' ' 130' ' ' ALA . 0.0 OUTLIER -70.36 -58.69 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.176 -179.569 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.06 -47.48 85.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.72 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' B' ' 115' ' ' LEU . 7.1 t80 -55.87 -54.16 48.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.4 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -50.29 -38.24 40.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.751 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.01 -47.62 85.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.654 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.826 ' HA ' HD12 ' B' ' 127' ' ' ILE . . . -58.36 -49.19 78.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.265 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.593 ' CD1' HD12 ' B' ' 86' ' ' ILE . 11.5 t80 -62.33 -37.45 85.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.255 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -63.94 -38.72 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.764 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 1.064 HD11 HD11 ' D' ' 127' ' ' ILE . 9.3 mt -63.72 -49.63 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.696 ' O ' ' HB ' ' B' ' 132' ' ' THR . 26.0 t-80 -67.92 -39.28 83.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.822 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.845 ' O ' HG23 ' B' ' 133' ' ' VAL . 19.5 t-20 -55.32 -60.35 3.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.806 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.72 -51.52 48.31 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.79 HG21 HG21 ' A' ' 57' ' ' ILE . 70.5 mt -53.8 -43.73 57.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.528 0.204 . . . . 0.0 111.282 -179.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.696 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.7 OUTLIER -60.14 -53.67 54.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.452 0.644 . . . . 0.0 109.536 178.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.845 HG23 ' O ' ' B' ' 129' ' ' ASN . 57.5 t -53.59 -48.09 59.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -31.59 72.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.362 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 11.3 ttm -59.11 -49.93 76.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.694 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -76.12 -27.11 56.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.977 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -80.68 -71.91 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 60.92 84.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.055 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 84.7 p . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.946 179.923 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . 0.506 ' OD1' ' HB3' ' C' ' 6' ' ' ALA . 15.5 t-20 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.573 0.225 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.87 -28.76 75.78 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.48 2.12 . . . . 0.0 112.371 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . 0.506 ' HB3' ' OD1' ' C' ' 4' ' ' ASN . . . -75.81 -29.23 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.06 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.01 -39.22 81.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.133 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.728 ' O ' HG23 ' C' ' 12' ' ' VAL . 13.0 mt-10 -64.57 -56.47 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.647 ' HE2' HD11 ' C' ' 13' ' ' LEU . 3.0 tmtt? -60.05 -43.41 95.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.601 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 5.1 mmt -61.41 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.852 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.496 ' NE2' HG23 ' C' ' 15' ' ' VAL . 32.2 tp60 -68.72 -34.09 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.627 178.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.728 HG23 ' O ' ' C' ' 8' ' ' GLU . 25.8 t -60.12 -56.35 18.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.718 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.679 ' HA ' HD12 ' C' ' 16' ' ' LEU . 17.2 mt -57.46 -41.7 81.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.099 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -28.5 67.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.444 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.785 HG22 ' CG ' ' B' ' 108' ' ' ASP . 2.2 t -73.69 -37.92 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.83 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' C' ' 13' ' ' LEU . 23.8 mt -64.17 -42.75 96.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.077 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -39.17 78.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.543 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mtp-105 -68.08 -48.0 66.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.767 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.717 HD12 HD11 ' B' ' 112' ' ' LEU . 33.9 mt -58.96 -57.53 12.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.649 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.755 ' HB3' HD12 ' C' ' 35' ' ' LEU . 0.0 OUTLIER -56.74 -30.04 63.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.595 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.93 -47.15 86.0 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.6 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.411 ' HB3' ' CD2' ' B' ' 100' ' ' LEU . 0.5 OUTLIER -60.55 -38.51 84.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 110.265 179.467 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' C' ' 20' ' ' ARG . 33.2 mt -61.07 -50.11 74.6 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.505 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.453 ' HG2' HG23 ' C' ' 29' ' ' THR . 0.1 OUTLIER -54.99 -32.13 61.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.6 -28.51 30.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.296 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.425 ' HE3' HD23 ' B' ' 100' ' ' LEU . 9.8 mttt -78.48 -33.05 48.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.055 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.41 13.5 8.87 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.326 -179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -112.57 85.43 2.16 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.027 0.441 . . . . 0.0 110.185 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.453 HG23 ' HG2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -92.44 16.88 10.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.06 179.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m -88.1 -49.88 6.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.49 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.608 ' HB3' HD11 ' B' ' 96' ' ' ILE . 4.0 mp0 -74.51 -22.29 59.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -54.21 -44.9 72.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -56.94 -32.75 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.336 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -70.74 -44.65 66.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.35 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.755 HD12 ' HB3' ' C' ' 20' ' ' ARG . 1.6 mt -60.23 -30.84 69.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.426 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 4.3 t -77.17 -34.44 56.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.993 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.86 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -70.28 -44.28 68.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.429 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.546 ' CE2' HD11 ' C' ' 42' ' ' LEU . 61.6 t80 -70.64 -43.68 68.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.265 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.611 ' CA ' HD13 ' C' ' 16' ' ' LEU . 10.6 t80 -62.31 -53.57 53.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.093 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.4 ' HA ' ' HG3' ' C' ' 43' ' ' LYS . 23.2 mm-40 -58.5 -50.62 73.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.884 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.447 HG22 ' CD2' ' C' ' 47' ' ' PHE . 63.7 m -57.09 -38.2 73.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.855 0.36 . . . . 0.0 110.413 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.628 ' HB3' HD21 ' C' ' 13' ' ' LEU . 0.2 OUTLIER -60.55 -35.57 76.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.149 0.5 . . . . 0.0 110.076 179.263 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.484 ' HD3' ' CZ ' ' C' ' 39' ' ' TYR . 0.9 OUTLIER -73.4 -30.49 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.089 -179.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 15.1 m -46.37 135.98 7.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.37 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.04 -38.92 8.63 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.54 2.16 . . . . 0.0 111.984 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.691 HD11 ' CD1' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -63.84 -54.16 39.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.148 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.906 ' CE1' HD21 ' C' ' 51' ' ' LEU . 13.6 t80 -57.61 -45.71 85.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.319 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -57.22 -39.14 74.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.614 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -60.13 -43.45 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.317 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.869 HG12 HD21 ' A' ' 53' ' ' LEU . 11.3 mt -58.35 -45.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.638 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.906 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.3 OUTLIER -66.56 -34.95 79.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.366 179.606 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -53.8 -52.64 59.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.064 0.459 . . . . 0.0 109.85 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.834 HD21 HG12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -59.73 -40.79 89.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.509 178.655 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.507 ' NE2' ' HB2' ' B' ' 124' ' ' ALA . 5.2 mm-40 -62.07 -36.29 81.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.247 179.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -62.45 -38.43 89.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.786 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.87 -47.64 85.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.707 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.834 HG21 HG21 ' D' ' 131' ' ' ILE . 6.2 mt -62.1 -36.38 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.225 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -59.28 -37.22 77.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.821 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -39.88 85.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.949 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' C' ' 57' ' ' ILE . 1.1 mt -53.21 -49.21 67.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.528 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -65.53 -37.66 87.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.29 -24.22 69.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.783 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.33 -53.18 5.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.314 . . . . 0.0 110.974 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 mp -55.44 106.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 -179.874 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . 0.431 ' O ' HG22 ' D' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.862 0.363 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . 0.78 HG11 ' HB3' ' D' ' 136' ' ' ASN . 30.0 m 43.44 49.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.086 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . 0.426 ' C ' HD13 ' D' ' 83' ' ' ILE . 0.1 OUTLIER -90.24 129.8 36.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.38 179.522 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.686 HD12 ' CG2' ' D' ' 132' ' ' THR . 0.0 OUTLIER -108.7 -166.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.444 0.64 . . . . 0.0 111.783 -179.544 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 0.797 HD13 ' HB3' ' A' ' 37' ' ' ALA . 8.7 tp -156.73 -34.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.793 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.76 111.77 0.01 OUTLIER 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.765 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.803 HG12 HG13 ' D' ' 116' ' ' VAL . 1.0 OUTLIER -53.82 -24.96 11.18 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.503 -179.59 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.38 -50.11 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.192 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -33.73 60.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.147 0.499 . . . . 0.0 109.739 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.751 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -72.13 -29.03 63.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.375 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 11.6 t80 -71.76 -49.57 37.85 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 5.6 m -61.64 -30.2 70.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.471 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . . . . . . . . . 1.9 t -61.77 -53.1 60.51 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.273 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.8 OUTLIER -56.8 -37.88 71.78 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.482 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -37.18 78.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.475 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . 0.4 ' O ' ' HB ' ' D' ' 99' ' ' THR . 1.0 OUTLIER -71.26 -52.77 17.11 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.286 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' D' ' 93' ' ' LEU . 10.6 mt -53.05 -40.44 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.196 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.692 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -61.5 -53.55 54.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.223 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.44 -2.61 42.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.027 0.442 . . . . 0.0 110.477 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' D' ' 95' ' ' HIS . 1.5 m -98.5 -33.46 11.0 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.566 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.938 HD12 HD11 ' D' ' 109' ' ' ILE . 48.5 mt -91.13 -53.48 4.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.209 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 41.75 36.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.68 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -97.13 21.57 9.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.831 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . . . . . . . . . 28.6 t 66.1 -71.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.924 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -34.06 72.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.177 0.513 . . . . 0.0 109.864 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.821 ' O ' HD12 ' D' ' 109' ' ' ILE . 87.9 p -67.98 -41.6 82.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.28 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . 0.403 ' NE2' ' NE2' ' D' ' 97' ' ' GLN . 0.4 OUTLIER -61.49 -32.41 72.43 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.002 0.43 . . . . 0.0 110.16 179.555 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -42.41 71.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.649 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.746 ' CG ' HG22 ' A' ' 15' ' ' VAL . 17.1 m-20 -70.64 -42.4 70.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.718 0.77 . . . . 0.0 108.977 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.938 HD11 HD12 ' D' ' 100' ' ' LEU . 5.1 mt -61.1 -49.24 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.589 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.658 ' HA ' HD12 ' D' ' 113' ' ' LEU . 1.2 m -57.67 -33.9 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.903 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.596 HD13 ' NE2' ' A' ' 11' ' ' GLN . 0.5 OUTLIER -58.13 -51.24 70.56 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.101 179.014 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.795 HD21 HG11 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -63.92 -38.27 90.45 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 178.799 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' D' ' 110' ' ' SER . 5.8 mt -60.88 -43.53 98.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.372 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -61.94 -52.67 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.619 HD22 HG21 ' A' ' 12' ' ' VAL . 1.8 pp -65.41 -35.66 81.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.35 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.803 HG13 HG12 ' D' ' 86' ' ' ILE . 19.8 t -65.48 -36.52 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 53.6 mt-30 -88.09 -12.81 43.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.847 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -51.56 139.07 21.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.643 0.259 . . . . 0.0 110.568 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -59.09 5.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.75 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -48.74 80.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 111.21 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 9.9 t80 -55.67 -51.6 66.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -53.03 -41.47 64.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.8 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.578 ' O ' HG13 ' D' ' 127' ' ' ILE . 0.5 OUTLIER -59.89 -51.83 68.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -179.766 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.439 ' CB ' HG22 ' A' ' 50' ' ' ILE . . . -56.47 -49.18 75.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.22 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.677 ' CG ' HD12 ' D' ' 86' ' ' ILE . 9.5 t80 -55.99 -35.54 66.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -29.48 64.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 1.064 HD11 HD11 ' B' ' 127' ' ' ILE . 13.0 mt -66.4 -50.02 70.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 121.093 0.473 . . . . 0.0 110.551 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.639 ' O ' ' HB ' ' D' ' 132' ' ' THR . 15.2 t-80 -65.07 -44.78 87.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.836 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.84 ' O ' HG23 ' D' ' 133' ' ' VAL . 24.7 t-20 -55.51 -60.53 3.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.726 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . 0.738 ' HB1' ' HD2' ' B' ' 119' ' ' LYS . . . -59.09 -51.33 70.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.502 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.834 HG21 HG21 ' C' ' 57' ' ' ILE . 72.1 mt -57.28 -45.32 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.179 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.686 ' CG2' HD12 ' D' ' 83' ' ' ILE . 0.5 OUTLIER -61.59 -48.33 81.42 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.182 0.515 . . . . 0.0 109.857 179.249 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.84 HG23 ' O ' ' D' ' 129' ' ' ASN . 85.0 t -55.52 -51.49 57.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.141 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -63.81 -30.77 71.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.988 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 17.9 ttm -52.86 -54.44 34.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.701 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . 0.78 ' HB3' HG11 ' D' ' 81' ' ' VAL . 2.5 p-10 -70.44 -37.27 74.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -32.57 70.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . -145.68 85.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.896 179.911 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 t30 . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.404 0.145 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -59.0 -52.28 5.35 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.353 2.036 . . . . 0.0 112.014 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.46 -32.05 25.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.241 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.5 86.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.045 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.768 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.3 mm-40 -64.79 -53.88 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 2.9 tmmm? -58.67 -41.81 87.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.596 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.8 tpt -61.3 -44.63 96.89 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.504 ' NE2' HG23 ' A' ' 15' ' ' VAL . 28.8 tp60 -66.53 -35.43 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.344 178.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 8' ' ' GLU . 55.1 t -59.97 -50.27 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.614 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.783 ' HA ' HD12 ' A' ' 16' ' ' LEU . 12.6 mt -57.64 -46.6 83.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.046 0.45 . . . . 0.0 109.932 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -28.34 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.76 178.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.813 ' CG1' HD21 ' D' ' 112' ' ' LEU . 2.3 t -73.13 -40.02 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.773 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 13' ' ' LEU . 10.8 mt -60.76 -42.09 96.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -41.31 71.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.657 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -63.57 -54.3 38.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.746 HD12 HD11 ' D' ' 112' ' ' LEU . 86.5 mt -52.98 -56.64 14.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.442 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.827 ' HA ' HD12 ' A' ' 23' ' ' LEU . 5.4 tmm_? -50.76 -36.47 36.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.885 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.12 -49.7 75.67 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.967 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.716 ' HB3' HD22 ' D' ' 100' ' ' LEU . 0.2 OUTLIER -61.36 -31.85 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 0.0 110.598 179.601 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.827 HD12 ' HA ' ' A' ' 20' ' ' ARG . 26.1 mt -68.4 -50.35 53.48 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.019 0.437 . . . . 0.0 110.42 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.475 ' HG2' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -58.45 -26.76 63.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.913 179.244 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.6 -31.66 28.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.464 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.759 ' HE2' HD23 ' D' ' 100' ' ' LEU . 0.5 OUTLIER -79.96 -33.15 39.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.257 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.64 19.16 5.02 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -116.06 81.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.145 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.475 HG23 ' HG2' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -91.55 13.15 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.186 179.659 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.4 m -78.64 -54.88 5.66 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.491 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.669 ' HB3' HD11 ' D' ' 96' ' ' ILE . 2.1 mp0 -67.17 -17.81 65.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.464 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.29 -52.85 15.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.75 -32.75 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.407 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -67.22 -40.08 86.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.161 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.706 HD12 ' CB ' ' A' ' 20' ' ' ARG . 2.2 mt -70.16 -32.12 69.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.602 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -34.46 55.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.956 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.846 ' HB3' HD13 ' D' ' 84' ' ' LEU . . . -73.08 -42.26 63.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.539 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.626 ' HD2' HD21 ' A' ' 16' ' ' LEU . 4.7 t80 -71.72 -37.43 70.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.233 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.672 ' HA ' HD13 ' A' ' 16' ' ' LEU . 17.8 t80 -65.95 -53.12 43.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.823 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -58.6 -47.89 82.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.964 HG22 ' CD2' ' A' ' 47' ' ' PHE . 48.9 m -56.83 -48.7 77.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.415 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.497 ' CD1' HD11 ' A' ' 16' ' ' LEU . 5.7 mt -52.47 -38.94 60.52 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.214 0.531 . . . . 0.0 110.247 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 26.5 mtpt -77.93 -29.24 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.345 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.405 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 0.8 OUTLIER -42.29 135.79 2.42 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.466 -179.674 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 29.5 Cg_exo -61.21 -53.34 2.54 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.472 2.114 . . . . 0.0 112.567 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.53 HD11 HG12 ' C' ' 57' ' ' ILE . 1.4 mm? -57.52 -55.7 31.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.582 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.964 ' CD2' HG22 ' A' ' 41' ' ' THR . 5.2 t80 -54.96 -48.82 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 110.98 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -55.61 -32.67 63.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.439 ' HB3' HD11 ' C' ' 53' ' ' LEU . 0.0 OUTLIER -69.67 -40.36 76.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.6 179.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.846 HG12 HD21 ' C' ' 53' ' ' LEU . 17.7 mt -64.27 -42.6 95.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.118 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.736 HD21 ' CE1' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -68.83 -36.55 78.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.887 0.375 . . . . 0.0 110.103 179.525 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.4 m -53.94 -52.4 60.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.835 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' C' ' 49' ' ' GLN . 0.4 OUTLIER -58.29 -45.67 87.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.819 178.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.834 ' NE2' ' HB2' ' D' ' 124' ' ' ALA . 0.0 OUTLIER -61.08 -33.03 72.69 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.266 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.31 -39.45 94.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.104 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.661 179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.552 HG21 HG21 ' B' ' 131' ' ' ILE . 1.9 mt -60.3 -40.48 83.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.308 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -58.91 -44.34 91.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.229 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.25 -39.83 84.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.345 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.608 HD13 HD21 ' C' ' 46' ' ' LEU . 1.5 mt -59.93 -41.77 92.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.688 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -50.67 71.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.39 -36.3 83.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.646 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -59.12 -53.88 53.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.49 89.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.783 0.325 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 m 40.74 71.13 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.869 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.04 138.48 37.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.358 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.585 ' N ' HD13 ' B' ' 83' ' ' ILE . 0.8 OUTLIER -79.38 -160.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.559 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.906 HD13 ' HB3' ' C' ' 37' ' ' ALA . 26.7 tp -168.26 -36.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.313 . . . . 0.0 111.102 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 57.59 108.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.52 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.851 HG12 HG13 ' B' ' 116' ' ' VAL . 0.9 OUTLIER -50.82 -25.05 2.97 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.854 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.86 -47.51 80.42 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.333 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -77.34 -34.32 55.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 0.0 109.832 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' B' ' 86' ' ' ILE . 0.1 OUTLIER -72.22 -30.54 65.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.542 179.512 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.531 ' HB2' ' O ' ' B' ' 86' ' ' ILE . 1.9 t80 -72.23 -48.51 42.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.751 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -28.91 70.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.516 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . 0.794 ' C ' HD12 ' B' ' 96' ' ' ILE . 4.9 t -64.51 -53.54 46.42 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.533 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.734 HD13 ' HB2' ' B' ' 112' ' ' LEU . 0.4 OUTLIER -58.04 -33.9 69.5 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -59.3 -44.9 92.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.697 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.461 ' CD2' ' HG3' ' C' ' 31' ' ' GLN . 1.8 t60 -68.21 -54.13 19.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.794 HD12 ' C ' ' B' ' 92' ' ' SER . 4.9 mt -50.72 -34.33 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.937 179.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.658 ' HA ' HD13 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -64.0 -46.59 83.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.66 179.583 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -80.46 -20.07 44.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.366 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 2.0 m -84.26 -33.18 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.715 HD23 ' HE2' ' C' ' 26' ' ' LYS . 42.4 mt -112.09 76.01 0.95 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -94.46 36.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.161 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.85 16.28 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.999 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m 74.47 -68.47 0.21 Allowed 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -29.7 69.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.128 0.49 . . . . 0.0 109.942 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.756 ' O ' HD12 ' B' ' 109' ' ' ILE . 0.4 OUTLIER -72.2 -47.68 48.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.776 179.531 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -62.37 -30.09 70.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.761 0.315 . . . . 0.0 110.572 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.72 -41.02 65.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.459 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.739 ' CG ' HG22 ' C' ' 15' ' ' VAL . 35.9 m-20 -70.45 -42.68 71.16 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 178.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.756 HD12 ' O ' ' B' ' 105' ' ' SER . 5.3 mt -59.72 -49.29 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.491 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . 0.55 ' HA ' HD12 ' B' ' 113' ' ' LEU . 2.3 m -55.57 -35.53 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.817 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.605 HD23 HG22 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -56.62 -51.34 69.07 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.84 178.779 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.867 ' O ' HG23 ' B' ' 116' ' ' VAL . 2.4 mt -62.84 -42.52 99.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.3 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.646 ' CD1' HG22 ' B' ' 109' ' ' ILE . 4.7 mt -57.1 -41.13 78.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.815 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -61.75 -50.22 73.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.001 0.429 . . . . 0.0 110.428 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.537 ' CD2' HG21 ' C' ' 12' ' ' VAL . 1.3 mp -61.24 -49.75 75.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.137 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 112' ' ' LEU . 48.8 t -58.37 -27.55 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.429 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 113' ' ' LEU . 73.7 mt-30 -98.43 -8.29 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.79 152.69 26.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.708 0.289 . . . . 0.0 110.523 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -59.33 2.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.078 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -43.05 99.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.799 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' PHE . . . . . 0.451 ' CE2' ' HB3' ' B' ' 115' ' ' LEU . 12.3 t80 -58.67 -56.01 27.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.58 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -52.26 -36.16 51.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.815 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.435 ' HB3' ' CD1' ' D' ' 127' ' ' ILE . 4.1 m120 -62.11 -51.24 68.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.684 ' HB2' HE21 ' C' ' 54' ' ' GLN . . . -58.22 -47.96 81.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.083 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . 0.471 ' CG ' ' CD1' ' B' ' 86' ' ' ILE . 2.1 t80 -57.57 -41.31 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.597 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' B' ' 126' ' ' LYS . 1.2 mptp? -64.06 -37.21 86.59 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.81 0.338 . . . . 0.0 110.712 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.847 HD11 HD11 ' D' ' 127' ' ' ILE . 44.4 mt -69.11 -49.74 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.633 ' O ' ' HB ' ' B' ' 132' ' ' THR . 11.6 t-80 -68.41 -32.1 71.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.901 ' O ' HG23 ' B' ' 133' ' ' VAL . 35.9 t-20 -64.29 -60.81 2.74 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.79 -52.3 38.73 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.552 HG21 HG21 ' A' ' 57' ' ' ILE . 56.0 mt -53.79 -36.1 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.415 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . 0.633 ' HB ' ' O ' ' B' ' 128' ' ' HIS . 0.8 OUTLIER -61.33 -52.09 66.11 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 177.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' VAL . . . . . 0.901 HG23 ' O ' ' B' ' 129' ' ' ASN . 14.5 t -52.89 -51.39 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.718 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -64.08 -32.16 73.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.518 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' MET . . . . . . . . . . . . . 33.3 ttm -54.75 -61.91 2.0 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -66.91 -34.97 78.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -60.32 -66.52 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' ALA . . . . . . . . . . . . . . . 57.68 72.9 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.83 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.555 0.216 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -61.96 -48.81 7.73 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.511 2.141 . . . . 0.0 112.025 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.18 -29.44 13.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.205 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.79 -33.34 73.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.965 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.844 ' O ' HG23 ' C' ' 12' ' ' VAL . 49.2 mt-10 -63.05 -53.37 54.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.636 ' HE2' HD11 ' C' ' 13' ' ' LEU . 5.3 tmtt? -56.71 -41.46 77.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.607 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 6.4 tpt -61.77 -48.21 81.68 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.579 ' NE2' HG23 ' C' ' 15' ' ' VAL . 30.6 tp60 -64.78 -31.89 73.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.714 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.844 HG23 ' O ' ' C' ' 8' ' ' GLU . 54.3 t -60.71 -56.3 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.533 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.658 HD13 ' HE2' ' C' ' 43' ' ' LYS . 19.7 mt -54.37 -44.35 72.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.214 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -28.63 68.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.803 ' CG1' HD21 ' B' ' 112' ' ' LEU . 2.1 t -74.0 -37.8 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.91 179.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.533 ' CD2' HD13 ' B' ' 112' ' ' LEU . 74.0 mt -64.44 -37.03 86.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.732 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.8 -41.16 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.83 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -66.03 -54.69 22.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.567 HD12 HD11 ' B' ' 112' ' ' LEU . 90.4 mt -53.2 -52.54 58.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.141 0.496 . . . . 0.0 110.286 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.499 ' HD3' ' HB2' ' C' ' 35' ' ' LEU . 0.1 OUTLIER -51.5 -44.24 62.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.746 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.62 -44.91 86.14 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.111 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.63 ' HB3' HD22 ' B' ' 100' ' ' LEU . 1.6 mttm -64.22 -33.48 75.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.518 0.199 . . . . 0.0 111.198 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' C' ' 31' ' ' GLN . 47.5 mt -66.66 -50.49 62.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.944 0.402 . . . . 0.0 110.499 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -26.31 67.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.004 179.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.38 -31.97 29.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.494 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . 0.715 ' HE2' HD23 ' B' ' 100' ' ' LEU . 0.7 OUTLIER -83.51 -36.49 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.431 -179.789 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.65 -19.41 6.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.943 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 97.8 m-20 -73.58 80.67 1.49 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.01 0.433 . . . . 0.0 110.113 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.23 14.94 9.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.882 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' THR . . . . . . . . . . . . . 55.3 m -87.33 -44.39 11.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.666 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.748 ' HB3' HD11 ' B' ' 96' ' ' ILE . 3.7 mm-40 -72.84 -25.04 60.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.577 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' ASN . . . . . 0.416 ' CB ' ' HD2' ' C' ' 20' ' ' ARG . 4.1 m120 -49.89 -41.44 45.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.892 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -59.7 -33.59 71.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.345 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.534 ' NZ ' HD12 ' B' ' 84' ' ' LEU . 16.9 mmmt -73.49 -41.85 62.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.344 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.577 ' N ' HD23 ' C' ' 35' ' ' LEU . 2.3 mt -66.8 -32.36 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.646 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -33.03 60.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.237 0.541 . . . . 0.0 109.896 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.906 ' HB3' HD13 ' B' ' 84' ' ' LEU . . . -74.37 -47.08 36.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.217 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' PHE . . . . . 0.533 ' CE2' HD11 ' C' ' 42' ' ' LEU . 42.8 t80 -63.96 -49.73 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.176 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.466 ' CZ ' ' NZ ' ' C' ' 43' ' ' LYS . 85.2 t80 -54.13 -53.38 54.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.12 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.13 -48.31 79.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' THR . . . . . 0.5 HG23 ' CE1' ' B' ' 128' ' ' HIS . 84.8 m -56.03 -38.82 71.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.427 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' C' ' 38' ' ' PHE . 0.2 OUTLIER -60.94 -41.72 96.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.143 179.242 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . 0.658 ' HE2' HD13 ' C' ' 13' ' ' LEU . 0.0 OUTLIER -69.39 -24.2 63.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.0 179.676 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . 0.434 ' HA ' ' HD3' ' C' ' 45' ' ' PRO . 0.5 OUTLIER -45.59 133.99 6.19 Favored Pre-proline 0 CA--C 1.531 0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.478 -179.437 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' C' ' 44' ' ' SER . 27.2 Cg_exo -61.12 -49.13 8.58 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.446 2.098 . . . . 0.0 111.887 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.608 HD21 HD13 ' A' ' 60' ' ' LEU . 3.4 mm? -57.71 -54.7 43.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.831 ' CE1' HD21 ' C' ' 51' ' ' LEU . 3.4 t80 -51.06 -51.14 56.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -55.9 -36.59 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.304 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . 0.55 ' HB3' HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -65.37 -40.41 93.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.968 -179.833 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . 0.443 HG12 HD21 ' A' ' 53' ' ' LEU . 1.3 mt -63.98 -41.07 91.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.831 HD21 ' CE1' ' C' ' 47' ' ' PHE . 0.4 OUTLIER -68.77 -37.92 79.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.897 0.379 . . . . 0.0 110.17 179.526 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 93.8 m -53.91 -50.7 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.801 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.846 HD21 HG12 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -57.9 -51.15 70.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.977 178.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.684 HE21 ' HB2' ' B' ' 124' ' ' ALA . 3.4 mm-40 -59.68 -31.35 69.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.444 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -41.2 98.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.989 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 74.9 m -63.25 -41.76 99.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.622 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.689 HG21 HG21 ' D' ' 131' ' ' ILE . 3.3 mt -61.31 -43.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.239 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -40.75 74.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.184 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.88 -41.49 97.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.284 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 60' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' C' ' 57' ' ' ILE . 0.9 OUTLIER -55.89 -45.99 78.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 179.563 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . 0.742 ' NZ ' HG23 ' D' ' 131' ' ' ILE . 3.3 mttt -59.24 -56.52 21.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.66 -38.62 92.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.592 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.38 -45.73 90.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.341 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt -75.26 126.94 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . 0.814 ' O ' HG13 ' D' ' 81' ' ' VAL . . . . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.579 0.228 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 81' ' ' VAL . . . . . 0.814 HG13 ' O ' ' D' ' 80' ' ' ALA . 0.0 OUTLIER -176.55 37.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.068 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.15 156.24 18.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.779 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 83' ' ' ILE . . . . . 0.572 HG21 ' CG ' ' D' ' 129' ' ' ASN . 0.3 OUTLIER -95.86 -156.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.79 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 84' ' ' LEU . . . . . 0.846 HD13 ' HB3' ' A' ' 37' ' ' ALA . 12.2 tp -168.13 -32.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.364 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 59.36 112.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.783 0.325 . . . . 0.0 110.683 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.912 HG12 HG13 ' D' ' 116' ' ' VAL . 0.9 OUTLIER -57.13 -25.42 22.92 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.527 -179.609 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.21 -46.82 82.22 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.187 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -35.95 55.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.152 0.501 . . . . 0.0 109.821 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . 0.747 HD22 ' CD2' ' D' ' 84' ' ' LEU . 0.1 OUTLIER -71.99 -30.52 65.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.58 179.659 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 90' ' ' PHE . . . . . 0.508 ' HB2' ' O ' ' D' ' 86' ' ' ILE . 13.6 t80 -72.48 -46.07 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -62.78 -31.61 72.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.572 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 92' ' ' SER . . . . . 0.798 ' C ' HD12 ' D' ' 96' ' ' ILE . 45.1 m -63.44 -53.02 58.81 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.578 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 93' ' ' LEU . . . . . 0.727 HD13 ' HB2' ' D' ' 112' ' ' LEU . 0.6 OUTLIER -56.35 -35.83 68.1 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.446 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 94' ' ' LYS . . . . . 0.43 ' HE3' ' CZ ' ' D' ' 90' ' ' PHE . 26.9 mmtp -58.97 -45.19 91.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.715 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 95' ' ' HIS . . . . . 0.418 ' CD2' ' OE1' ' A' ' 31' ' ' GLN . 2.1 t60 -66.85 -55.5 14.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 96' ' ' ILE . . . . . 0.798 HD12 ' C ' ' D' ' 92' ' ' SER . 4.6 mt -50.9 -33.91 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.061 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 97' ' ' GLN . . . . . 0.567 ' HA ' HD13 ' D' ' 109' ' ' ILE . 0.0 OUTLIER -64.41 -52.03 60.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.715 179.62 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 98' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -74.4 -21.51 59.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.392 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -82.22 -36.55 27.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.919 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 100' ' ' LEU . . . . . 0.759 HD23 ' HE2' ' A' ' 26' ' ' LYS . 25.2 mt -107.82 77.58 1.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 101' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.29 37.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.638 -1.165 . . . . 0.0 111.095 -178.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.4 21.14 3.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.866 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 103' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' D' ' 106' ' ' GLN . 0.5 OUTLIER 68.56 -68.61 0.17 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.066 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 104' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -59.59 -30.17 68.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.149 0.499 . . . . 0.0 110.02 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 105' ' ' SER . . . . . 0.822 ' O ' HD12 ' D' ' 109' ' ' ILE . 0.4 OUTLIER -71.99 -48.56 43.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.611 179.578 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 106' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' D' ' 103' ' ' SER . 4.3 pt20 -61.49 -29.91 70.28 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 110.296 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 107' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.82 -42.14 70.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.596 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 108' ' ' ASP . . . . . 0.716 ' CG ' HG22 ' A' ' 15' ' ' VAL . 21.4 m-20 -70.38 -42.19 72.09 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 109' ' ' ILE . . . . . 0.822 HD12 ' O ' ' D' ' 105' ' ' SER . 3.8 mt -60.25 -49.26 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.36 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 110' ' ' SER . . . . . 0.601 ' HA ' HD12 ' D' ' 113' ' ' LEU . 0.9 OUTLIER -56.25 -33.92 65.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.572 179.08 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 111' ' ' LEU . . . . . 0.699 HD23 HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -57.01 -51.26 69.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.707 178.697 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 112' ' ' LEU . . . . . 0.816 ' O ' HG23 ' D' ' 116' ' ' VAL . 1.4 mt -63.32 -41.77 98.95 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.477 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 113' ' ' LEU . . . . . 0.626 ' CD1' HG22 ' D' ' 109' ' ' ILE . 4.6 mt -58.76 -40.12 83.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.641 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.46 -50.46 72.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 0.0 110.366 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 115' ' ' LEU . . . . . 0.537 ' CD2' HG21 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -62.31 -50.49 71.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.839 179.076 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 116' ' ' VAL . . . . . 0.912 HG13 HG12 ' D' ' 86' ' ' ILE . 58.4 t -58.28 -36.07 56.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.376 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 117' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' D' ' 113' ' ' LEU . 41.1 mt-30 -89.01 -8.73 53.5 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 118' ' ' ASN . . . . . 0.403 ' HB3' ' HB3' ' D' ' 121' ' ' PHE . 0.4 OUTLIER -60.6 134.53 57.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.734 0.302 . . . . 0.0 110.393 179.554 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -59.11 5.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.441 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 120' ' ' ASP . . . . . 0.428 ' HB2' ' HG2' ' A' ' 54' ' ' GLN . 1.1 p30 -62.07 -45.72 92.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.152 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 121' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' D' ' 115' ' ' LEU . 5.6 t80 -57.39 -49.86 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.471 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 122' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' D' ' 126' ' ' LYS . 5.9 mt-30 -52.38 -46.02 66.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.979 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 123' ' ' ASN . . . . . 0.49 ' O ' HG13 ' D' ' 127' ' ' ILE . 30.4 m-20 -59.76 -47.19 86.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 124' ' ' ALA . . . . . 0.834 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . . . -56.42 -45.62 80.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.309 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 125' ' ' PHE . . . . . 0.625 ' CG ' HD12 ' D' ' 86' ' ' ILE . 22.1 t80 -59.66 -38.38 81.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 126' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' D' ' 122' ' ' GLN . 7.2 mmpt? -63.03 -40.2 97.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.368 . . . . 0.0 110.337 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 127' ' ' ILE . . . . . 0.847 HD11 HD11 ' B' ' 127' ' ' ILE . 4.6 mt -62.67 -49.8 82.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 128' ' ' HIS . . . . . 0.749 ' O ' ' HB ' ' D' ' 132' ' ' THR . 21.8 t-80 -64.14 -38.54 91.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.768 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 129' ' ' ASN . . . . . 0.934 ' O ' HG23 ' D' ' 133' ' ' VAL . 43.9 t-20 -55.74 -60.87 2.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.62 -52.39 31.9 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 131' ' ' ILE . . . . . 0.832 HD12 HG22 ' D' ' 127' ' ' ILE . 57.9 mt -53.82 -37.13 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.78 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 132' ' ' THR . . . . . 0.749 ' HB ' ' O ' ' D' ' 128' ' ' HIS . 0.8 OUTLIER -62.77 -52.27 63.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.368 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 133' ' ' VAL . . . . . 0.934 HG23 ' O ' ' D' ' 129' ' ' ASN . 33.9 t -52.97 -43.93 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.861 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -63.43 -32.14 73.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.224 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 135' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -43.03 96.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.58 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 136' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -72.62 -40.18 66.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.941 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -49.43 63.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 138' ' ' ALA . . . . . . . . . . . . . . . 59.83 85.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.031 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 stop_ save_