data_2kdi_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 2kdi _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 ' 11' ' ' GLN . . . . . 0.455 ' H ' ' NH2' ' A' ' 72' ' ' ARG . 3.2 mp0 . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.816 0.341 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.6 pt -142.95 169.03 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.143 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -123.56 132.16 53.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.042 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.37 137.8 54.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.828 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.43 116.55 22.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.3 p -63.26 167.4 5.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.036 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 3.4 tm? -57.11 -42.27 80.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.02 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.2 p -64.81 -16.88 63.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.399 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.46 21.39 11.56 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 121.237 -0.506 . . . . 0.0 111.968 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -81.6 124.24 29.37 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 m -86.14 126.94 34.59 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.853 0.359 . . . . 0.0 110.958 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.2 mt -133.33 129.04 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.62 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.7 m -107.7 126.74 52.97 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.431 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.75 140.65 49.3 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 25' ' ' GLU . 5.9 mp0 -83.24 107.99 16.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.527 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.14 -172.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.404 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 3.9 mm-40 -107.15 158.41 17.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.694 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.0 p -60.77 -21.44 63.04 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.705 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.56 ' HA ' ' H ' ' A' ' 66' ' ' SER . 58.7 p -116.35 4.76 13.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.468 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.458 ' HB2' ' H ' ' A' ' 27' ' ' GLU . 6.9 t70 -40.09 148.77 0.07 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.694 0.283 . . . . 0.0 110.973 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.1 p -99.25 163.25 12.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.383 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.9 mm -52.26 -54.36 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.311 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.86 -43.52 18.71 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.809 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -69.18 -40.41 78.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.302 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.12 -47.71 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.788 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -59.66 -64.79 0.82 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.724 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -46.22 -47.5 17.9 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.929 0.395 . . . . 0.0 110.376 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -50.14 -35.83 27.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.77 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -67.48 -40.17 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.135 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.31 -32.59 64.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.696 0.284 . . . . 0.0 110.65 -179.484 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 15.8 t70 -72.79 -20.99 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.69 -46.47 7.56 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.318 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 45' ' ' ILE . 53.9 mt-10 -118.78 6.11 11.51 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.25 -39.45 1.87 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.431 HG23 HD11 ' A' ' 45' ' ' ILE . 7.1 mm -39.58 125.19 1.46 Allowed Pre-proline 0 N--CA 1.464 0.244 0 CA-C-O 120.501 0.191 . . . . 0.0 111.229 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -70.04 142.81 47.68 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 122.409 2.073 . . . . 0.0 112.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -52.94 -40.37 76.07 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.641 2.228 . . . . 0.0 112.316 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.68 -22.25 66.35 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.786 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -97.42 -12.3 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.632 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.509 HE22 ' CD2' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -99.1 135.21 40.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.47 -179.433 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.426 ' HB2' ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -117.49 150.42 38.95 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.098 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.25 117.95 26.48 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.328 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -116.83 126.66 74.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -145.71 139.92 26.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.954 0.407 . . . . 0.0 110.867 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.465 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 58.01 53.11 7.05 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.288 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.26 2.45 0.42 Allowed Glycine 0 CA--C 1.531 1.072 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.693 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 55' ' ' ALA . 15.4 ttmt -121.64 144.33 48.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 117.178 0.489 . . . . 0.0 111.177 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -79.35 120.74 24.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.638 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 mt -71.07 125.91 28.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.924 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.4 138.86 34.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.942 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -44.68 -24.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.06 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.12 4.97 85.39 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 121.285 -0.483 . . . . 0.0 112.03 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -82.09 153.42 26.1 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.3 p -116.89 168.21 10.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.641 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.3 mt -75.94 -42.13 49.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.152 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.56 ' H ' ' HA ' ' A' ' 29' ' ' SER . 41.5 p -73.1 -9.94 59.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.202 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.25 -61.91 1.97 Allowed 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -87.35 3.47 46.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.49 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 t30 73.82 27.88 1.64 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.12 0.486 . . . . 0.0 109.76 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.9 mt -56.28 112.81 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.525 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.593 HE21 ' H ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -70.71 -150.29 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.274 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.455 ' NH2' ' H ' ' A' ' 11' ' ' GLN . 7.1 ptm85 -99.83 -39.04 8.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.732 0.301 . . . . 0.0 110.385 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.593 ' H ' HE21 ' A' ' 71' ' ' GLN . 46.3 mt-10 -81.95 55.03 2.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.258 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.9 p -114.95 148.03 39.26 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.6 m -99.23 98.04 9.06 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.024 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mp -78.51 96.75 5.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.575 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.43 109.84 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.027 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.509 ' CD2' HE22 ' A' ' 50' ' ' GLN . 5.9 tt -105.6 143.08 34.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.226 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.14 119.5 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.957 0.408 . . . . 0.0 110.401 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.411 ' CD2' HG22 ' A' ' 45' ' ' ILE . 10.9 mt -75.39 117.99 17.8 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.749 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.426 ' NE ' ' HB2' ' A' ' 51' ' ' ARG . 6.0 mtt85 . . . . . 0 N--CA 1.462 0.153 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.733 0.302 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.401 ' HB2' ' CD ' ' A' ' 95' ' ' GLU . 1.7 m-20 -134.99 -78.79 0.44 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.298 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.79 -43.91 0.18 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -105.41 -41.66 5.45 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.626 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.401 ' CD ' ' HB2' ' A' ' 92' ' ' ASP . 0.6 OUTLIER -66.74 -11.59 55.25 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.181 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 pp -78.65 -10.3 59.7 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.895 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.7 mt -90.49 -55.96 5.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.495 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -59.57 -33.84 71.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.6 -36.22 33.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.988 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.472 ' HA ' HD21 ' A' ' 103' ' ' LEU . . . -65.95 -19.62 65.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.069 0.461 . . . . 0.0 109.825 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.458 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 74.1 mt -94.11 -28.55 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.29 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.02 -11.93 31.88 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -178.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.538 ' CD1' ' H ' ' A' ' 104' ' ' SER . 2.6 pp -96.1 -70.22 0.72 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.363 -0.935 . . . . 0.0 112.849 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.538 ' H ' ' CD1' ' A' ' 103' ' ' LEU . 18.6 m -98.65 -12.09 21.41 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.458 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 C-N-CA 120.721 -0.391 . . . . 0.0 111.924 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.921 0.391 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.7 pt -73.0 173.65 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.166 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -126.3 140.03 52.84 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.952 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.3 150.76 50.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.4 ttpp -131.58 120.86 23.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.568 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -69.66 173.28 6.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.753 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.415 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 3.4 tm? -58.7 -47.08 85.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.206 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -62.24 -21.73 65.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.59 42.12 2.39 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.006 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -94.26 124.96 38.6 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.112 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -87.21 116.57 25.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.4 mt -132.65 136.08 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.467 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 m -106.39 137.5 44.25 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.527 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -127.07 131.59 50.86 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.016 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.06 94.09 6.52 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.169 0.509 . . . . 0.0 110.052 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.29 -169.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.062 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -111.02 154.12 24.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.256 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.4 p -57.19 -23.04 44.97 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.153 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.561 ' HA ' ' H ' ' A' ' 66' ' ' SER . 82.9 p -116.41 4.35 13.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.885 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.1 158.58 0.09 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.68 0.276 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -91.41 149.06 21.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.369 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.3 mm -53.12 -47.55 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.471 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.61 -43.8 46.74 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.562 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -66.05 -39.62 90.27 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.927 0.394 . . . . 0.0 109.938 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.48 -43.65 83.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 47' ' ' PRO . 21.8 mtpt -61.81 -59.6 4.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.138 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.402 ' N ' ' HB3' ' A' ' 47' ' ' PRO . 12.1 t -49.7 -50.64 43.09 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.011 0.434 . . . . 0.0 110.22 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -49.02 -34.27 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.731 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.506 HG21 HD12 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -68.27 -40.22 82.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.92 178.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.3 pp0? -56.26 -28.89 60.16 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.799 0.333 . . . . 0.0 110.209 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 27.0 t70 -71.75 -23.6 61.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -92.1 -42.63 9.83 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.092 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 45' ' ' ILE . 36.8 mt-10 -120.28 7.19 10.7 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.07 -39.13 1.15 Allowed Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.466 ' H ' ' C ' ' A' ' 43' ' ' GLU . 16.8 mm -37.13 128.89 0.78 Allowed Pre-proline 0 N--CA 1.464 0.239 0 C-N-CA 122.236 0.214 . . . . 0.0 111.213 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -65.97 137.65 49.54 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 C-N-CA 122.159 1.906 . . . . 0.0 111.649 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 2.6 Cg_endo -48.73 -42.89 35.88 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 122.878 2.385 . . . . 0.0 112.609 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.51 -28.79 69.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.976 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -73.82 -13.94 61.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.306 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.21 149.83 27.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.057 0.456 . . . . 0.0 111.596 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.463 HH22 HE22 ' A' ' 58' ' ' GLN . 4.1 mmp_? -127.57 147.77 50.34 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.04 113.43 25.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.862 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.0 mp -114.87 122.35 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.967 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -132.44 132.34 42.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.914 0.388 . . . . 0.0 110.735 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.45 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 53.79 61.23 3.19 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.598 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.33 3.43 0.37 Allowed Glycine 0 CA--C 1.53 1.015 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.934 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' A' ' 55' ' ' ALA . 25.6 mttm -118.49 142.15 47.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 117.228 0.514 . . . . 0.0 110.984 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.463 HE22 HH22 ' A' ' 51' ' ' ARG . 0.0 OUTLIER -86.4 125.85 33.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.365 179.721 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mt -83.03 144.64 29.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.675 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.0 140.71 29.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.561 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -55.47 -24.03 28.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.205 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.79 -9.6 86.8 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -74.74 164.44 26.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.39 . . . . 0.0 111.189 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.452 ' HG1' ' CB ' ' A' ' 67' ' ' ASP . 11.0 p -116.76 169.41 9.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.161 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 mt -75.43 -42.02 54.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.826 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.561 ' H ' ' HA ' ' A' ' 29' ' ' SER . 55.5 p -77.67 -10.64 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.452 ' CB ' ' HG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -64.95 -60.17 3.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.423 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.83 1.0 48.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.5 t30 67.2 35.15 4.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.304 0.573 . . . . 0.0 109.9 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.3 mt -57.32 -22.39 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.942 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 53.49 -156.95 0.18 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.797 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 11.0 ptt85 -101.95 -52.05 3.26 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.154 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 3.2 pt-20 -75.59 63.21 1.51 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.129 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t -131.64 151.9 51.25 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.5 m -99.17 103.14 15.01 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.841 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.9 mp -84.42 96.2 9.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.65 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.2 117.23 10.57 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.204 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 tt -115.01 151.97 33.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.287 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 51' ' ' ARG . 30.4 m -130.18 127.43 63.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.938 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -85.12 127.86 34.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.196 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 . . . . . 0 N--CA 1.463 0.21 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.756 179.9 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -88.23 -86.43 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.003 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -140.63 -40.12 0.42 Allowed 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.385 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -111.99 -43.09 3.63 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.848 0.356 . . . . 0.0 110.803 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -63.73 -9.85 16.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.9 OUTLIER -73.7 -10.49 59.74 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.494 ' N ' HD22 ' A' ' 96' ' ' LEU . 3.8 mt -95.87 -51.18 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -66.18 -33.52 75.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.121 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 0.4 OUTLIER -75.38 -38.73 59.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.474 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.414 ' N ' ' CG ' ' A' ' 99' ' ' LYS . . . -72.92 -29.06 62.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.983 0.421 . . . . 0.0 110.118 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.443 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 5.7 mt -70.0 -39.88 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.381 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -93.19 -10.8 34.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.058 -0.973 . . . . 0.0 112.139 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 13.1 mt -89.4 -74.44 0.48 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.275 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.3 m -100.27 -10.38 21.37 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 1.2 mm? . . . . . 0 C--N 1.325 -0.475 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.198 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.604 0.24 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.4 pt -79.75 -177.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.074 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -126.03 136.22 52.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.246 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.05 137.48 53.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.955 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -127.55 115.53 18.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.8 p -68.14 167.5 14.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.174 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.4 tp -66.36 -16.95 64.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.293 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -85.48 -19.94 30.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.378 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.66 44.55 1.94 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.99 -0.444 . . . . 0.0 111.99 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -105.13 115.37 30.16 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -82.94 123.4 29.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.4 mt -131.68 128.31 60.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -102.83 127.39 50.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.22 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.43 136.47 46.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.989 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.96 97.71 5.42 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.189 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.2 m -131.13 -172.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.406 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -106.28 156.93 17.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.062 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -66.2 -12.63 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.553 ' HA ' ' H ' ' A' ' 66' ' ' SER . 91.2 p -121.67 -0.14 9.74 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.02 124.65 10.46 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.431 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 17.9 p -53.91 157.42 2.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.668 0.271 . . . . 0.0 110.766 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.1 mm -54.58 -42.23 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.37 -47.84 37.04 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.769 0.318 . . . . 0.0 110.253 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.37 -37.02 86.03 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.781 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.3 -48.93 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.454 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -62.15 -61.64 2.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.216 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.445 ' N ' ' HB3' ' A' ' 47' ' ' PRO . 21.7 t -48.45 -51.38 27.22 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.85 0.357 . . . . 0.0 110.258 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -48.96 -33.88 11.83 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.458 HG21 HD12 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -67.9 -42.41 85.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 179.283 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -58.83 -27.27 64.95 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.621 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.459 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 2.7 t70 -71.33 -27.24 63.24 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -92.32 -38.66 11.92 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.042 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 45' ' ' ILE . 35.2 mt-10 -116.61 5.27 13.24 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 71.6 -44.05 0.77 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.09 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.441 ' HB ' HE22 ' A' ' 50' ' ' GLN . 93.2 mt -44.31 128.44 4.67 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 120.674 0.273 . . . . 0.0 111.473 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -52.05 139.0 52.8 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.095 2.53 . . . . 0.0 112.746 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.445 ' HB3' ' N ' ' A' ' 37' ' ' SER . 2.4 Cg_endo -54.05 -33.01 71.64 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.845 2.363 . . . . 0.0 112.368 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -70.77 -11.32 60.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.526 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -92.69 -12.44 31.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.953 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.441 HE22 ' HB ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.6 154.69 24.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.18 0.514 . . . . 0.0 111.326 -179.506 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.61 157.38 43.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.138 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.05 110.81 20.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.162 -0.311 . . . . 0.0 110.162 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.01 120.0 61.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -141.08 140.09 34.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.973 0.416 . . . . 0.0 110.765 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.511 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 54.46 54.08 9.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.286 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.41 2.09 0.39 Allowed Glycine 0 CA--C 1.529 0.956 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.695 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 55' ' ' ALA . 3.5 mmmm -115.09 137.39 52.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.275 0.538 . . . . 0.0 111.254 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -82.16 125.58 31.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.944 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.5 mt -92.27 155.77 17.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.384 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -133.09 171.27 14.22 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.951 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -52.55 -35.8 54.35 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.813 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.96 -21.33 69.55 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -85.38 152.87 22.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.743 0.306 . . . . 0.0 110.307 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 31' ' ' THR . 38.6 p -118.07 161.87 19.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.82 -40.82 96.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.962 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.553 ' H ' ' HA ' ' A' ' 29' ' ' SER . 42.5 t -67.1 -9.61 41.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.084 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.8 -44.98 90.91 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.079 0.466 . . . . 0.0 109.936 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.53 -3.97 26.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 75.08 63.76 0.06 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.278 0.561 . . . . 0.0 109.935 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.2 mm -93.58 138.02 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.698 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -121.81 177.62 5.2 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.753 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -58.47 -50.87 72.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.576 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.08 45.41 0.63 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.693 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.2 p -121.68 153.31 38.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.78 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.5 m -111.62 108.66 18.22 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.368 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.04 137.88 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.487 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -95.5 109.55 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.5 tt -100.38 142.36 31.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.81 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.492 HG13 ' CD1' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -107.58 145.07 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.839 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.62 105.61 10.59 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.638 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 . . . . . 0 N--CA 1.462 0.148 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.809 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.778 0.323 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.19 -103.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.951 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -126.23 -36.0 2.36 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.109 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -112.42 -44.57 3.35 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.351 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -62.33 -9.65 8.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.846 0.355 . . . . 0.0 110.684 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.581 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -76.38 -10.35 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.871 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.581 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 mt -95.83 -52.11 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.506 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -60.91 -34.97 75.48 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.475 ' O ' ' CD2' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -80.07 -29.65 39.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.61 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.46 ' HA ' HD23 ' A' ' 103' ' ' LEU . . . -68.83 -26.63 65.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.503 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 48.4 mt -84.82 -30.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.351 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.83 -12.02 32.18 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.505 ' CD1' ' H ' ' A' ' 104' ' ' SER . 2.6 pp -97.12 -69.66 0.75 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.129 -1.028 . . . . 0.0 113.267 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.505 ' H ' ' CD1' ' A' ' 103' ' ' LEU . 99.8 p -99.59 -10.35 22.14 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.511 HD12 ' H ' ' A' ' 55' ' ' ALA . 3.6 mm? . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.845 0.355 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.418 HD12 HG22 ' A' ' 12' ' ' ILE . 36.8 pt -82.04 -174.77 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -125.2 134.77 52.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.569 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.29 129.59 55.55 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -122.42 119.39 30.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 111.237 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 p -73.86 158.62 34.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.198 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' A' ' 96' ' ' LEU . 15.6 tp -62.34 -17.68 59.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.432 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.3 p -79.54 -18.89 50.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.503 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.58 33.48 4.76 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.35 120.27 41.17 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -87.94 132.35 34.26 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.508 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.6 mt -132.57 124.68 51.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.546 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.9 m -104.49 123.57 47.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.303 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.48 140.1 48.24 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -76.65 108.28 9.54 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.482 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.13 141.77 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.73 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.15 161.55 26.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.059 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 t -61.96 -23.04 66.14 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.258 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.568 ' HA ' ' H ' ' A' ' 66' ' ' SER . 90.9 p -115.64 4.23 14.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -178.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.19 158.76 0.23 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.752 0.31 . . . . 0.0 110.724 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.2 p -100.51 165.14 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.395 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.512 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 42.7 mm -52.85 -48.97 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.065 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -43.5 -44.7 6.12 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -65.4 -37.07 85.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.037 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' ILE . 61.8 t -64.14 -49.75 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.914 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -59.74 -62.54 1.8 Allowed 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.063 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.413 ' HG ' ' N ' ' A' ' 38' ' ' LYS . 58.5 p -46.25 -48.48 17.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.909 0.385 . . . . 0.0 110.319 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.413 ' N ' ' HG ' ' A' ' 37' ' ' SER . 40.1 mmtt -53.54 -31.16 45.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.302 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 40' ' ' GLN . 0.4 OUTLIER -68.31 -47.71 76.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.744 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.482 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 2.3 pt20 -63.91 -21.61 66.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.794 0.331 . . . . 0.0 110.95 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -77.39 -36.57 53.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.077 0.465 . . . . 0.0 109.787 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -90.28 -37.49 14.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.394 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' A' ' 45' ' ' ILE . 8.3 mp0 -118.41 6.65 11.82 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 70.69 -44.67 0.64 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.81 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.433 ' H ' ' C ' ' A' ' 43' ' ' GLU . 79.4 mt -38.77 123.89 1.19 Allowed Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 2.6 Cg_endo -48.0 140.67 18.45 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.994 2.463 . . . . 0.0 112.403 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.62 -39.35 35.73 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.551 2.167 . . . . 0.0 112.138 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.67 -44.18 91.19 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.723 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.69 -10.17 1.49 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.684 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -113.41 156.23 23.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -140.63 168.53 19.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.73 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -121.52 109.13 14.44 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -112.8 124.65 69.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -156.21 136.24 12.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.032 0.444 . . . . 0.0 110.74 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 71.24 41.45 0.77 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.982 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.538 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 62.49 2.21 4.13 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.547 178.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -125.76 138.68 53.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.054 0.454 . . . . 0.0 110.795 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -73.96 126.72 31.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.459 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.3 mt -76.84 139.03 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.746 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -94.37 142.41 27.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.177 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.512 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -49.95 -22.93 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.56 -179.22 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.4 -0.62 67.44 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 149.01 34.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.796 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -113.33 170.95 7.86 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.18 -36.56 22.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.754 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.568 ' H ' ' HA ' ' A' ' 29' ' ' SER . 14.2 p -73.21 -9.6 58.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.696 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.66 -61.57 2.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.02 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -96.8 0.44 49.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.641 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 73.01 36.4 0.87 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.123 0.487 . . . . 0.0 110.006 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.3 mt -54.05 119.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -94.09 152.27 18.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -46.95 -40.07 13.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -78.27 50.34 0.91 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.5 t -127.9 151.02 49.6 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.4 m -107.86 105.98 16.04 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.82 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.06 123.41 33.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.293 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -76.96 105.74 8.22 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 tt -99.52 132.86 44.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.139 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 t -97.6 143.01 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.883 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.15 97.63 5.42 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.467 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.42 ' HA ' HD23 ' A' ' 96' ' ' LEU . 12.5 ptt180 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -135.22 -61.47 0.74 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.674 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.419 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 4.3 tm-20 -160.43 -62.62 0.06 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.341 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.26 -45.47 10.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.47 ' HG2' ' H ' ' A' ' 96' ' ' LEU . 2.1 pm0 -53.27 -58.83 5.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.756 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 2.1 pp -39.27 -29.5 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' A' ' 96' ' ' LEU . 1.6 mt -84.68 -62.94 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.336 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -56.08 -32.61 64.3 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -66.54 -71.34 0.2 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -38.79 -29.58 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.885 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.453 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 81.5 mt -76.74 -40.56 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 120.955 0.407 . . . . 0.0 110.862 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.3 mp0 -85.67 -21.15 28.5 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.458 ' CG ' ' H ' ' A' ' 104' ' ' SER . 1.0 OUTLIER -97.19 -68.36 0.8 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -178.39 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.458 ' H ' ' CG ' ' A' ' 103' ' ' LEU . 15.6 m -84.73 -11.66 55.36 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.538 ' HG ' ' H ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.079 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.732 0.301 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.6 pt -74.51 178.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.244 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -129.53 134.91 48.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.932 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -120.77 141.72 50.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.22 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -132.11 120.07 21.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.998 0.428 . . . . 0.0 110.961 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 37.4 p -80.23 175.91 10.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.762 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.43 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 2.7 tm? -54.82 -48.78 72.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.331 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -59.08 -21.05 58.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.047 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.35 38.25 4.84 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 9.6 tmtt? -91.83 120.28 32.39 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -86.02 125.17 33.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.816 0.341 . . . . 0.0 110.67 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.3 mt -132.64 128.94 58.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.544 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.401 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 44.7 m -105.66 129.15 53.95 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.76 138.83 47.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.13 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.9 113.67 12.47 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.188 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.2 m -146.85 -169.27 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 121.093 0.473 . . . . 0.0 111.405 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -115.27 164.31 14.43 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.188 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -17.85 64.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.804 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.519 ' HA ' ' H ' ' A' ' 66' ' ' SER . 4.0 m -116.26 4.86 13.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.0 153.1 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.642 0.258 . . . . 0.0 110.407 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.425 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 37.1 p -94.78 156.86 16.19 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.589 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 33.5 mm -54.49 -52.79 36.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.256 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -48.45 -41.33 29.2 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.836 0.351 . . . . 0.0 110.219 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.425 ' H ' ' HG1' ' A' ' 31' ' ' THR . 20.5 t-20 -71.42 -40.36 70.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.493 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.9 t -59.4 -46.28 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.355 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.46 -62.35 1.81 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.192 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.6 p -47.08 -50.83 19.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.936 0.398 . . . . 0.0 110.237 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -51.29 -34.03 31.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.137 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.496 HG22 HD11 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -72.63 -42.27 62.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.4 -27.05 55.18 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.592 -179.652 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.501 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 25.4 t70 -70.41 -25.52 63.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.401 ' NZ ' ' O ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -92.81 -40.15 10.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.216 -179.162 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -114.55 3.63 14.93 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 73.8 -42.99 1.13 Allowed Glycine 0 CA--C 1.53 0.969 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.167 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.408 ' HB ' ' NE2' ' A' ' 50' ' ' GLN . 14.6 mt -42.22 120.18 2.36 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-O 120.589 0.233 . . . . 0.0 111.335 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.01 139.09 42.57 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.995 2.463 . . . . 0.0 112.649 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -49.21 -46.76 24.56 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 123.153 2.568 . . . . 0.0 112.569 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.48 -43.68 98.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.677 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -59.95 -13.45 11.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.471 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.411 HE22 ' CG2' ' A' ' 39' ' ' ILE . 60.5 mt-30 -114.4 158.83 21.0 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.12 0.486 . . . . 0.0 111.28 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -147.89 163.24 37.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.994 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 mp -121.33 128.31 52.15 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.671 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.3 mp -116.29 123.61 71.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -148.72 135.65 19.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.048 0.452 . . . . 0.0 111.147 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 66.65 46.91 1.68 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.778 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.526 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 60.67 2.82 2.67 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.448 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -129.29 132.96 47.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.014 0.407 . . . . 0.0 110.94 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.75 122.51 16.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.458 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.82 125.07 25.09 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.738 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.66 128.92 36.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.814 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -51.1 -18.94 0.95 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.24 -178.698 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.41 -3.58 86.66 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.443 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.42 ' CZ ' ' HH ' ' A' ' 68' ' ' TYR . 5.9 mtt180 -84.35 170.0 14.06 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.025 0.441 . . . . 0.0 111.056 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.7 p -118.32 178.91 4.27 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 mt -80.1 -38.07 32.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.966 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.519 ' H ' ' HA ' ' A' ' 29' ' ' SER . 36.0 t -65.04 -9.14 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.19 -28.1 24.97 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.966 0.413 . . . . 0.0 110.211 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.42 ' HH ' ' CZ ' ' A' ' 63' ' ' ARG . 10.7 m-85 -125.74 -3.58 7.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.335 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t30 77.58 38.66 0.2 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.421 0.629 . . . . 0.0 109.643 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.2 mt -66.56 115.7 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.44 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -84.35 -135.09 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.462 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.37 -39.82 7.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.232 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -84.19 44.83 1.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.219 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.9 p -102.7 140.09 37.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.998 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.4 m -101.61 97.06 7.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.867 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mp -82.0 156.94 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.799 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -117.46 109.44 16.76 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.562 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 16' ' ' THR . 4.4 tt -107.99 139.23 42.92 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 96' ' ' LEU . 2.1 t -106.94 126.22 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.187 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.2 mt -97.82 102.34 14.07 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.646 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.4 ptt85 . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.387 179.821 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.676 0.274 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -142.73 34.9 1.42 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.64 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.454 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 0.5 OUTLIER 59.17 69.39 0.72 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.664 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.506 ' H ' HD22 ' A' ' 96' ' ' LEU . 23.0 tt0 156.73 -82.48 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.462 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.425 ' N ' ' HG2' ' A' ' 94' ' ' GLU . 7.4 pt-20 -63.25 -10.26 14.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.274 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.506 HD22 ' H ' ' A' ' 94' ' ' GLU . 0.6 OUTLIER -70.71 -11.13 60.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.772 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.8 mt -95.24 -53.81 7.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 120.704 0.288 . . . . 0.0 110.347 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.0 ptt85 -66.79 -39.49 87.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.976 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 10.9 ptmm? -65.43 -30.72 71.55 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.184 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.76 -26.07 49.59 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.723 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.518 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 42.9 mt -78.44 -29.25 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -93.93 -11.22 31.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.295 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -90.24 -73.96 0.51 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -177.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 t -97.82 -11.52 23.21 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.526 ' HG ' ' H ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 120.788 0.328 . . . . 0.0 110.694 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' NE2' ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.737 0.303 . . . . 0.0 110.398 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 72' ' ' ARG . 17.7 pt -76.43 175.98 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.837 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.17 131.94 54.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.86 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.32 145.25 48.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.02 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.12 118.22 19.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.477 ' HG1' ' HG1' ' A' ' 18' ' ' THR . 36.7 p -64.63 162.53 15.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.07 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.6 -10.15 49.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.272 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.477 ' HG1' ' HG1' ' A' ' 16' ' ' THR . 71.7 p -88.67 -15.4 35.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.53 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.14 24.55 8.91 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.87 126.5 42.06 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -91.16 127.99 36.81 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.759 0.314 . . . . 0.0 111.046 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.0 mt -133.59 132.46 57.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.546 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -107.2 130.42 54.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.229 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.26 140.14 48.52 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.63 106.32 10.52 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.678 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.42 -172.76 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.093 0.473 . . . . 0.0 111.222 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -113.28 163.73 14.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.024 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 30.3 t -65.0 -18.02 64.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.084 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.576 ' HA ' ' H ' ' A' ' 66' ' ' SER . 83.5 p -119.09 4.51 11.35 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.49 154.01 0.32 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.9 p -98.51 160.92 13.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.628 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 mm -53.19 -50.69 45.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.247 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -45.33 -45.58 12.45 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.788 0.328 . . . . 0.0 110.328 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -65.14 -36.77 85.28 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.648 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.77 -45.9 97.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HG2' HE22 ' A' ' 50' ' ' GLN . 37.2 mttp -59.02 -63.98 1.11 Allowed 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.858 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.0 p -49.56 -50.73 41.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.624 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -48.59 -32.92 8.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.27 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.419 HG22 HD12 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -71.36 -42.06 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.397 179.538 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.413 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -57.32 -27.23 62.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.841 0.353 . . . . 0.0 110.646 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -73.42 -27.72 61.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -91.06 -40.67 11.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.422 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' A' ' 45' ' ' ILE . 34.1 mt-10 -123.13 7.68 9.18 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 74.04 -34.46 0.91 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.521 ' H ' ' C ' ' A' ' 43' ' ' GLU . 36.3 mm -37.5 121.26 0.92 Allowed Pre-proline 0 N--CA 1.464 0.271 0 CA-C-O 120.581 0.229 . . . . 0.0 111.294 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -62.17 134.68 50.37 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.161 1.907 . . . . 0.0 111.664 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -47.95 -34.21 22.04 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 123.002 2.468 . . . . 0.0 112.692 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.29 -41.44 33.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.312 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -63.53 -16.81 61.79 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.074 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.405 HE22 ' HG2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -115.42 159.66 20.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.944 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.35 163.99 29.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.937 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.93 129.09 35.81 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.037 0.446 . . . . 0.0 111.444 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -120.44 134.43 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.666 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -151.89 137.97 18.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.001 0.429 . . . . 0.0 111.192 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 59.17 46.77 12.62 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.709 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.451 ' H ' ' CG ' ' A' ' 105' ' ' LEU . . . 63.29 -5.73 0.6 Allowed Glycine 0 CA--C 1.528 0.864 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.317 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 55' ' ' ALA . 23.9 ttpt -118.78 126.68 52.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.971 0.415 . . . . 0.0 110.631 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.24 127.82 33.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.963 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.82 114.44 4.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.377 . . . . 0.0 110.773 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.6 143.73 28.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -45.14 -38.5 5.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.403 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.38 -1.04 68.72 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.246 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -84.22 147.93 27.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.2 p -115.61 -178.0 3.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.457 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' SER . 7.7 mt -92.35 -38.73 11.87 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.394 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.576 ' H ' ' HA ' ' A' ' 29' ' ' SER . 25.5 t -69.34 -9.69 54.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.513 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' A' ' 68' ' ' TYR . 16.0 p-10 -52.84 -57.3 10.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.371 . . . . 0.0 110.112 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.469 ' H ' ' CG ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -95.6 0.78 53.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.728 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 72.8 35.99 0.97 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.235 0.54 . . . . 0.0 110.146 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.67 119.98 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.5 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -156.27 0.06 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.886 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.505 ' C ' ' H ' ' A' ' 74' ' ' SER . 18.3 ptt85 -98.68 -38.07 9.25 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.31 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -77.85 27.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 110.124 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.505 ' H ' ' C ' ' A' ' 72' ' ' ARG . 5.6 m -89.02 146.17 25.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.796 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 m -102.91 104.24 14.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.221 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mp -82.85 143.28 30.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.476 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -107.56 108.39 19.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.5 tt -104.61 142.33 34.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.286 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.5 m -120.82 145.49 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.8 mt -114.56 139.41 49.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.679 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.557 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -140.79 -121.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.531 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -99.14 -49.72 4.4 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.212 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.467 ' HG3' ' H ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -96.74 -48.24 5.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.214 -179.282 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 97' ' ' ILE . 1.9 mt-10 -48.66 -44.63 37.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.973 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -34.54 -28.44 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -178.259 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.515 ' N ' HD22 ' A' ' 96' ' ' LEU . 2.4 mt -81.96 -59.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.615 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -64.38 -27.88 69.31 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -69.07 -44.45 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.169 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.63 -22.88 60.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.563 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 45.6 mt -78.82 -34.27 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.61 -12.23 29.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.387 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.9 mt -93.81 -73.45 0.57 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.9 p -90.97 -11.36 39.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.451 ' CG ' ' H ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.361 -179.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.701 0.286 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 pt -74.15 179.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.271 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -127.22 136.5 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.288 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.79 143.43 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.254 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.63 117.78 25.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.748 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.1 p -67.11 168.41 10.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.181 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.0 tp -66.25 -15.79 63.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.236 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.9 p -85.15 -20.53 30.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.492 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.59 40.44 3.17 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -104.43 127.35 52.1 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.64 122.54 30.7 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.816 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.0 mt -132.92 132.47 59.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.417 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.3 m -100.58 132.24 46.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.132 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 mt -123.96 127.29 47.72 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.051 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -76.14 97.21 4.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.172 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.8 m -132.37 -170.14 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.164 0.507 . . . . 0.0 111.695 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -107.23 156.64 18.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.71 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.7 p -64.19 -15.72 60.47 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.055 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.592 ' HA ' ' H ' ' A' ' 66' ' ' SER . 14.3 t -121.59 3.53 10.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.352 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.02 164.14 0.05 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.731 0.3 . . . . 0.0 110.792 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.2 p -96.91 161.24 13.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.429 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.448 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 29.3 mm -52.05 -46.56 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.57 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -47.6 -40.04 18.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -68.92 -43.14 75.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.679 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.431 HG21 ' N ' ' A' ' 36' ' ' LYS . 0.7 OUTLIER -65.4 -39.72 86.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.56 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' HA ' ' NE2' ' A' ' 50' ' ' GLN . 13.2 mttp -65.78 -63.63 1.04 Allowed 'General case' 0 N--CA 1.458 -0.046 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.071 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 98.9 p -46.77 -48.75 20.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.969 0.414 . . . . 0.0 110.051 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -52.71 -35.51 55.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.044 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.464 HG23 HD11 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -67.14 -47.29 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.721 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.492 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -58.27 -25.87 62.29 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.035 -179.261 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.492 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 21.7 t70 -74.39 -26.21 59.96 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -91.64 -39.31 11.93 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.341 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 45' ' ' ILE . 33.6 mt-10 -120.02 5.91 10.85 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.22 -41.01 1.28 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.45 ' H ' ' C ' ' A' ' 43' ' ' GLU . 11.5 mm -40.22 110.17 0.65 Allowed Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 122.128 0.171 . . . . 0.0 111.147 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 3.1 Cg_exo -50.3 144.6 23.2 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.415 2.076 . . . . 0.0 112.142 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -49.17 -33.89 29.04 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.971 2.447 . . . . 0.0 112.336 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -76.52 -41.53 46.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.283 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -58.81 -18.44 32.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.318 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.505 ' NE2' ' HA ' ' A' ' 36' ' ' LYS . 0.7 OUTLIER -119.71 165.51 14.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.382 . . . . 0.0 111.019 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -142.11 171.48 13.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.834 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.83 118.41 21.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.934 0.397 . . . . 0.0 110.422 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.418 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 1.7 mp -113.47 122.85 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.561 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -130.93 131.58 44.55 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.036 0.446 . . . . 0.0 111.192 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.441 ' H ' ' CD1' ' A' ' 105' ' ' LEU . . . 55.25 59.49 3.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.783 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.65 4.24 0.59 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-N 116.2 -0.454 . . . . 0.0 112.99 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 55' ' ' ALA . 25.2 tttt -122.6 135.74 54.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 117.292 0.546 . . . . 0.0 110.94 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -72.32 130.21 40.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.836 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.0 mt -79.3 134.29 36.63 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.728 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -90.67 140.71 29.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.409 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.448 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 6.1 p-10 -48.93 -30.23 5.68 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.455 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.97 -1.9 85.86 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -77.39 152.48 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 p -113.94 162.22 16.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.465 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 mt -70.68 -44.67 66.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.549 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.592 ' H ' ' HA ' ' A' ' 29' ' ' SER . 23.7 t -65.6 -9.9 30.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.134 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.68 -61.06 2.55 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.54 -0.41 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.255 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 77.51 49.3 0.05 OUTLIER 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.063 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 33.7 mm -78.23 116.02 21.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.43 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.52 -131.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.474 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -101.16 -42.84 6.2 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.079 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.48 85.27 2.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.4 m -131.24 151.27 51.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.542 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 m -98.58 96.8 8.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mp -83.56 98.21 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.845 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -62.57 110.47 1.71 Allowed 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.3 tt -107.13 138.99 42.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.37 142.25 13.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.925 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.26 116.32 26.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.51 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.419 ' HG2' ' HG3' ' A' ' 93' ' ' GLU . 3.3 ttm-85 . . . . . 0 C--O 1.234 0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.566 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.096 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -122.23 44.45 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.725 0.298 . . . . 0.0 110.98 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 5.2 mp0 48.45 69.86 0.51 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.53 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 2.5 mt-10 151.49 -73.35 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -61.69 -9.14 5.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.233 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.415 HD21 ' H ' ' A' ' 94' ' ' GLU . 1.2 pt? -69.15 -16.25 63.6 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.333 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.4 mt -95.31 -52.26 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -61.18 -35.37 76.96 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.82 0.343 . . . . 0.0 110.499 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -76.26 -31.05 58.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.342 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.474 ' HA ' HD23 ' A' ' 103' ' ' LEU . . . -68.56 -30.2 68.92 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.509 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 25.6 mt -80.15 -28.96 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.274 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.98 -12.19 31.35 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.578 ' CD1' ' H ' ' A' ' 104' ' ' SER . 2.6 pp -97.18 -70.25 0.73 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 119.073 -1.051 . . . . 0.0 113.379 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.578 ' H ' ' CD1' ' A' ' 103' ' ' LEU . 25.6 t -99.54 -9.8 22.85 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -177.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.509 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 3.9 mm? . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.232 0.146 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 pt -73.26 174.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.268 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -119.47 130.81 55.42 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.216 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.49 130.36 55.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.173 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HG3' ' H ' ' A' ' 16' ' ' THR . 1.1 tppt? -108.18 157.27 18.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.186 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.455 ' H ' ' HG3' ' A' ' 15' ' ' LYS . 69.5 p -112.54 164.23 13.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.402 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 3.3 tm? -54.23 -46.62 72.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.665 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.1 p -64.99 -21.88 66.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.838 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.51 47.74 1.49 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -105.67 131.0 53.57 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -90.23 129.65 36.45 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.022 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.84 128.07 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.298 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 m -108.35 128.48 54.8 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.416 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.1 140.19 47.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.665 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.24 96.74 7.96 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 m -118.58 -178.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.921 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -103.63 155.77 18.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.833 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.4 p -60.97 -23.05 65.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.33 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.55 ' HA ' ' H ' ' A' ' 66' ' ' SER . 1.4 m -115.15 4.05 14.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.569 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.09 160.87 0.18 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.897 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 p -98.61 158.8 15.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.459 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 40.9 mm -52.43 -48.19 46.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.513 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.25 -48.14 35.6 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.717 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -62.85 -44.45 96.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.045 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.2 t -57.34 -47.14 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.688 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 39' ' ' ILE . 29.2 mtpt -59.74 -62.21 2.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.061 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.4 p -45.94 -46.64 16.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.978 0.418 . . . . 0.0 109.879 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -49.26 -38.68 27.77 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.7 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.451 HG21 HD12 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -65.11 -42.89 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.497 179.657 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.418 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -57.33 -27.45 62.23 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.752 0.31 . . . . 0.0 110.754 -179.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.53 -27.4 61.33 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.709 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -92.27 -40.85 10.73 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.137 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' C ' ' H ' ' A' ' 45' ' ' ILE . 23.9 mt-10 -118.64 4.98 11.61 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.81 -42.52 1.82 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.468 HD11 HG22 ' A' ' 45' ' ' ILE . 8.0 mm -38.01 118.72 0.96 Allowed Pre-proline 0 N--CA 1.464 0.241 0 CA-C-N 115.855 -0.173 . . . . 0.0 111.321 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -70.59 143.49 46.97 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.199 1.933 . . . . 0.0 111.782 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -47.04 -35.68 19.32 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 123.031 2.487 . . . . 0.0 112.341 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -56.2 -32.53 64.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.025 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -95.31 -14.64 23.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.671 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -91.79 121.41 33.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.016 0.436 . . . . 0.0 111.221 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.37 147.09 39.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.297 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.56 112.95 21.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.692 0.282 . . . . 0.0 111.183 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.99 123.35 70.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -142.56 138.14 30.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.178 0.513 . . . . 0.0 110.964 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.556 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 60.11 55.08 3.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.798 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.477 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 55.84 8.09 1.96 Allowed Glycine 0 CA--C 1.529 0.915 0 CA-C-N 116.229 -0.442 . . . . 0.0 112.894 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -133.51 148.0 51.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.295 0.547 . . . . 0.0 111.26 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -76.39 122.6 24.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.849 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.96 129.6 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.922 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.12 128.9 34.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.086 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.425 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -53.79 -20.12 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.727 -179.012 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.58 -3.85 90.52 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -77.72 159.91 28.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.408 . . . . 0.0 111.051 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.7 p -117.58 167.95 10.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.45 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.82 -36.61 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.304 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.55 ' H ' ' HA ' ' A' ' 29' ' ' SER . 70.4 p -77.82 -10.57 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.134 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.66 -61.81 2.11 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -88.52 2.63 52.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.408 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER 77.42 12.91 2.0 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.132 0.491 . . . . 0.0 110.351 -179.626 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 mt -42.75 110.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.417 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -81.2 -145.38 0.05 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -99.24 -40.7 7.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.175 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.77 45.12 0.49 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.415 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -113.33 143.65 44.08 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.679 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.2 m -98.81 101.93 13.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.292 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.8 mp -81.48 101.0 9.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.002 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -67.36 109.33 3.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.973 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 tt -110.57 144.97 38.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.273 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.05 119.88 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.064 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.17 131.75 40.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.366 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.071 179.38 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.226 0 CA-C-O 120.635 0.255 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -147.91 -111.67 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.639 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.423 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 2.6 tt0 -115.31 -40.46 3.43 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.332 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 95' ' ' GLU . 4.0 pt-20 -106.19 -46.3 4.1 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.672 0.272 . . . . 0.0 110.889 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 94' ' ' GLU . 7.0 pt-20 -61.29 -10.65 7.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.265 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 97' ' ' ILE . 1.1 pt? -70.12 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.954 0.406 . . . . 0.0 109.984 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.565 ' N ' HD22 ' A' ' 96' ' ' LEU . 7.4 mt -96.52 -51.87 10.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.994 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 99' ' ' LYS . 10.4 ptp180 -49.72 -43.15 47.44 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.184 -178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.706 ' CG ' ' H ' ' A' ' 100' ' ' ALA . 1.2 ptmt -74.9 -71.0 0.38 Allowed 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.967 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.706 ' H ' ' CG ' ' A' ' 99' ' ' LYS . . . -34.23 -30.6 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 99' ' ' LYS . 26.1 mt -80.69 -50.91 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.696 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -83.91 -9.63 58.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.455 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 99' ' ' LYS . 11.7 tp -93.73 -73.21 0.58 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.3 t -99.14 -11.15 21.66 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.556 HD11 ' H ' ' A' ' 55' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.412 0 C-N-CA 120.564 -0.454 . . . . 0.0 112.128 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.887 0.375 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.0 pt -76.21 179.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.648 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -127.03 135.39 50.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.745 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.2 145.37 48.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.103 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.39 115.33 20.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.5 p -64.75 162.91 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.333 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.9 -11.11 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.579 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.9 p -87.32 -19.66 27.89 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.333 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.8 35.82 4.18 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.23 132.84 50.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.589 0.233 . . . . 0.0 110.461 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.75 125.54 34.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.268 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.0 mt -132.62 129.03 58.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.492 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 m -106.83 129.67 54.64 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.46 138.45 47.6 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.012 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -80.26 107.88 13.41 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.662 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.0 m -131.81 170.68 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.246 0.546 . . . . 0.0 111.596 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -87.06 159.23 19.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.885 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.5 t -67.05 -17.15 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.507 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.564 ' HA ' ' H ' ' A' ' 66' ' ' SER . 95.0 p -118.36 3.53 11.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.518 -178.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.49 160.83 0.1 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.814 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.4 p -106.83 171.58 7.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.816 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.1 mm -54.55 -51.95 45.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.263 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.67 -47.42 10.56 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.558 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -64.76 -39.76 94.16 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.067 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.3 t -63.59 -47.25 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.811 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -64.1 1.06 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.099 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t -49.34 -48.16 46.79 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.155 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -48.22 -34.79 10.74 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.016 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.47 HG23 HD13 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -70.88 -41.83 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.614 179.688 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 44' ' ' GLY . 2.3 pt20 -55.95 -30.42 61.67 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.767 0.317 . . . . 0.0 110.496 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -23.61 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -92.11 -42.85 9.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.354 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' A' ' 45' ' ' ILE . 51.2 mt-10 -123.31 7.1 9.05 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 74.64 -31.89 1.02 Allowed Glycine 0 CA--C 1.528 0.878 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.595 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.487 ' H ' ' C ' ' A' ' 43' ' ' GLU . 37.3 mm -38.48 133.81 0.98 Allowed Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.139 0.176 . . . . 0.0 111.451 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -69.78 130.66 19.7 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.311 2.007 . . . . 0.0 111.593 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -47.99 -35.36 25.1 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.8 2.334 . . . . 0.0 112.637 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.77 -43.12 63.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -65.06 -11.86 44.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -89.57 -176.43 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.135 0.493 . . . . 0.0 111.077 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -167.64 146.74 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.096 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.26 121.92 28.58 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.141 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 58' ' ' GLN . 3.1 mp -115.72 126.06 73.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.825 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -137.7 132.88 33.52 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.018 0.437 . . . . 0.0 110.756 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.429 ' N ' ' CD1' ' A' ' 105' ' ' LEU . . . 59.03 59.03 2.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.734 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.14 6.96 0.98 Allowed Glycine 0 CA--C 1.53 0.976 0 CA-C-N 116.103 -0.498 . . . . 0.0 113.127 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -132.28 139.71 48.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 117.351 0.575 . . . . 0.0 111.048 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.492 HE21 ' H ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -71.56 123.11 21.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.007 179.404 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 54.9 mt -65.51 124.36 22.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 mp0 -79.4 137.7 37.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.001 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -41.79 -30.96 0.27 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.861 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.42 10.72 28.02 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' GLU . 9.9 tpt180 -83.01 137.46 34.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 110.575 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.8 p -111.96 165.83 11.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.771 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mt -80.72 -40.19 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.884 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.564 ' H ' ' HA ' ' A' ' 29' ' ' SER . 17.0 p -70.32 -9.44 56.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.941 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -52.29 -61.6 2.17 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -94.35 0.94 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.21 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.7 m120 72.95 36.3 0.89 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.355 0.598 . . . . 0.0 109.657 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.4 mt -60.81 120.13 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.933 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -79.83 -143.43 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.134 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -101.5 -29.42 12.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.729 0.3 . . . . 0.0 110.311 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.47 54.6 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 m -122.76 146.34 47.6 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.9 m -101.83 98.65 8.87 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.158 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.71 96.56 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.623 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -61.32 106.28 0.61 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.809 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tt -102.9 144.84 30.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.346 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.0 t -121.18 147.92 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.794 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.89 121.1 37.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.025 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.906 -179.689 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.806 0.336 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -139.85 -124.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.831 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.567 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 10.9 tp10 -120.4 81.25 1.73 Allowed 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 28.8 tt0 143.3 -65.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.351 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -61.98 -9.35 6.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.516 HD21 ' H ' ' A' ' 94' ' ' GLU . 1.4 pt? -67.59 -21.6 65.41 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.905 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.3 mt -96.04 -52.64 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.593 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -60.06 -36.92 78.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.515 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.15 -30.29 38.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.656 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.423 ' HA ' HD23 ' A' ' 103' ' ' LEU . . . -69.95 -22.36 63.18 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.482 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 44.6 mt -89.59 -29.52 5.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.194 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -93.54 -11.32 32.16 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.596 ' CD1' ' H ' ' A' ' 104' ' ' SER . 3.1 pp -95.27 -71.23 0.68 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 118.896 -1.122 . . . . 0.0 113.092 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.596 ' H ' ' CD1' ' A' ' 103' ' ' LEU . 15.0 t -100.85 -9.69 21.4 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 3.1 mm? . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.653 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.856 0.36 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.99 -178.45 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.682 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -130.34 138.12 50.26 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.19 150.39 45.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.995 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -132.19 122.29 25.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.956 0.407 . . . . 0.0 111.407 -179.639 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -70.88 176.31 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.131 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.426 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 3.5 tm? -59.95 -48.93 79.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.115 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -61.52 -20.44 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.074 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.14 40.21 2.89 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -92.75 123.75 36.26 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.444 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.99 126.46 33.05 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.001 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.5 mt -133.18 128.85 56.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.575 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -103.95 127.51 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.217 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -132.14 139.85 48.56 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.126 0.489 . . . . 0.0 111.385 -179.488 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -81.06 107.26 13.72 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.587 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.66 -169.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.767 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -117.42 157.31 26.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.511 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.1 p -62.01 -22.37 65.65 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.061 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.552 ' HA ' ' H ' ' A' ' 66' ' ' SER . 96.9 p -115.73 3.98 13.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.637 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.62 164.04 0.15 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.797 0.332 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.1 p -97.65 156.76 16.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.2 mm -54.07 -43.29 58.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.087 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -47.83 -49.37 29.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.745 0.307 . . . . 0.0 110.461 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.455 HD22 ' HZ3' ' A' ' 38' ' ' LYS . 4.1 t30 -63.46 -39.86 95.59 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.921 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.32 -48.79 86.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.507 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HA ' HE22 ' A' ' 50' ' ' GLN . 44.7 mtmt -62.61 -60.35 3.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.134 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 m -47.07 -47.71 22.72 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.003 0.43 . . . . 0.0 109.874 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HZ3' HD22 ' A' ' 34' ' ' ASN . 10.4 mmtp -49.26 -39.11 29.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.9 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.471 HG23 HD12 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -64.63 -40.73 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -58.97 -29.24 67.04 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.797 0.332 . . . . 0.0 110.561 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -73.77 -24.88 59.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 42' ' ' LYS . 6.8 mptt -90.31 -43.44 10.35 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.982 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 45' ' ' ILE . 5.5 mt-10 -123.19 10.62 9.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.49 -38.45 0.71 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 121.048 -0.596 . . . . 0.0 111.92 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.47 ' H ' ' C ' ' A' ' 43' ' ' GLU . 1.9 mt -41.55 122.39 2.25 Favored Pre-proline 0 N--CA 1.464 0.261 0 CA-C-O 120.686 0.279 . . . . 0.0 111.602 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.18 139.94 86.41 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.485 2.123 . . . . 0.0 112.151 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.83 -33.87 52.75 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.834 2.356 . . . . 0.0 112.218 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -74.2 -40.01 62.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.18 -17.46 62.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.324 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.495 HE22 ' HA ' ' A' ' 36' ' ' LYS . 1.1 pp0? -123.09 173.07 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.41 169.99 20.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.526 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.55 114.03 25.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.162 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.81 119.18 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -143.61 137.32 28.25 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.12 0.486 . . . . 0.0 111.23 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 61.07 53.09 3.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.915 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.515 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 55.66 4.9 0.72 Allowed Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.692 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 55' ' ' ALA . 39.1 ttpt -125.42 131.92 52.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 117.106 0.453 . . . . 0.0 111.082 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -72.4 126.65 30.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.671 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.5 mt -79.38 145.02 33.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 110.662 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.99 139.05 31.03 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.713 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -55.33 -13.09 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.382 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.94 -8.01 60.77 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 159.14 27.13 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.925 0.362 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.69 159.55 20.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.454 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 mt -73.89 -39.6 63.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.328 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.552 ' H ' ' HA ' ' A' ' 29' ' ' SER . 15.1 t -70.59 -10.69 59.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.78 -24.35 66.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.932 0.396 . . . . 0.0 110.163 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.403 ' O ' ' CB ' ' A' ' 69' ' ' ASN . 22.6 t80 -125.78 -4.91 6.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.456 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER 78.31 30.75 0.4 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.23 0.538 . . . . 0.0 109.66 -179.102 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 mt -63.37 121.16 11.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.495 ' H ' ' HG ' ' A' ' 74' ' ' SER . 8.3 mt-30 -118.16 -172.1 2.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.678 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.476 ' C ' ' H ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -54.15 -50.57 66.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.467 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.443 ' H ' ' HG3' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -71.98 37.41 0.07 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.406 -179.37 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.495 ' HG ' ' H ' ' A' ' 71' ' ' GLN . 53.9 m -113.25 134.1 54.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.977 0.417 . . . . 0.0 110.589 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.9 m -98.83 103.92 15.92 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.004 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mp -86.27 155.27 20.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.609 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -121.31 113.51 20.02 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.7 tt -102.61 137.56 40.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 t -98.34 124.85 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.857 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.26 122.74 41.8 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.815 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 . . . . . 0 N--CA 1.463 0.177 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.807 179.71 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -143.8 28.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.321 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 59.63 66.32 1.02 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.64 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.486 ' H ' HD21 ' A' ' 96' ' ' LEU . 2.6 mt-10 162.16 -80.55 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.582 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -60.83 -10.19 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.556 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.486 HD21 ' H ' ' A' ' 94' ' ' GLU . 1.2 pt? -58.12 -17.47 18.52 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.433 ' N ' HD23 ' A' ' 96' ' ' LEU . 4.1 mt -95.29 -55.62 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.612 0.244 . . . . 0.0 110.868 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -62.73 -34.27 76.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.926 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -73.67 -35.0 65.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.829 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.02 -25.51 60.99 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 109.878 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.429 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 39.9 mt -76.68 -31.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -94.32 -12.23 28.44 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.951 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 1.2 mm? -93.17 -73.46 0.56 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -177.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.4 t -94.56 -11.61 29.14 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.515 ' HG ' ' H ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 120.708 0.29 . . . . 0.0 110.628 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.461 0.124 0 CA-C-O 120.851 0.358 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.8 pt -141.86 167.09 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.07 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -112.74 125.07 53.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.17 130.19 56.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.868 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -116.64 117.46 29.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.3 p -66.27 163.93 16.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.387 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -55.45 -46.0 76.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.982 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.6 p -60.56 -22.27 63.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.71 47.1 1.68 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -105.15 134.94 47.42 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.63 118.23 26.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.752 0.311 . . . . 0.0 110.689 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.8 mt -132.88 132.66 59.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.6 135.31 51.44 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -132.75 141.61 48.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.843 179.886 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -83.51 99.86 10.4 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.864 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.0 m -128.42 154.78 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.194 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -76.82 159.63 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.786 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -65.2 -22.18 66.86 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.57 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.544 ' HA ' ' H ' ' A' ' 66' ' ' SER . 96.7 p -114.73 3.98 14.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.315 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.11 159.73 0.41 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.786 0.327 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.2 p -93.88 154.44 17.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.248 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.7 mm -50.23 -45.77 24.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.326 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -48.9 -42.81 38.16 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.558 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.04 -40.11 90.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.044 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.76 -50.45 80.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.82 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -59.54 -59.67 5.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.077 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.7 p -48.36 -46.74 37.14 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.254 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -50.26 -37.33 35.38 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.459 HD11 HG22 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -68.12 -42.54 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 179.665 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.7 OUTLIER -57.95 -27.46 63.43 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.76 -179.596 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 3.5 t70 -72.65 -25.73 61.39 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -92.36 -40.99 10.59 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.03 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' C ' ' H ' ' A' ' 45' ' ' ILE . 16.7 mm-40 -115.17 3.46 14.34 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.83 -43.59 1.68 Allowed Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.401 ' H ' ' C ' ' A' ' 43' ' ' GLU . 7.2 mm -41.56 118.72 1.87 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.5 0.19 . . . . 0.0 111.34 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -51.73 142.54 40.89 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.514 2.143 . . . . 0.0 112.088 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -50.81 -40.26 57.25 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 122.94 2.427 . . . . 0.0 112.343 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -66.02 -40.85 91.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -16.6 45.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.919 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -116.89 167.15 11.38 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.699 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -138.18 166.99 22.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.7 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.26 112.25 17.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 110.491 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.8 mp -111.83 122.07 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -137.32 135.59 37.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.959 0.409 . . . . 0.0 110.862 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.455 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 57.21 54.57 6.66 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.332 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.71 7.11 1.39 Allowed Glycine 0 CA--C 1.529 0.917 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.755 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -123.47 140.17 53.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 117.272 0.536 . . . . 0.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.85 124.2 27.37 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.94 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.5 mt -78.91 137.37 37.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 110.436 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -90.92 141.51 28.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.693 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -19.92 2.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.261 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.51 -7.93 68.65 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.894 -0.483 . . . . 0.0 111.894 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -73.74 160.62 31.26 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.845 0.355 . . . . 0.0 110.942 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.0 p -118.75 164.58 15.17 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.402 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.72 -36.32 57.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.567 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.544 ' H ' ' HA ' ' A' ' 29' ' ' SER . 49.1 p -78.05 -10.43 59.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.494 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -53.3 -62.91 1.35 Allowed 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.03 6.1 43.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.384 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.8 34.92 1.46 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.6 mm -51.24 99.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.012 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.629 HE21 ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -67.29 156.1 37.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.847 -179.524 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.28 -48.82 65.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.655 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -80.13 55.37 2.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.0 t -110.63 138.97 46.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.503 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.5 m -91.72 99.04 12.0 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.039 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.22 151.36 23.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.392 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -121.76 117.05 25.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.928 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.0 tt -108.2 145.81 33.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.22 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.8 m -115.24 134.22 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.341 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mt -104.24 131.12 51.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.754 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.324 179.612 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.64 20.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.456 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 56.23 60.0 3.4 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.404 ' H ' HD22 ' A' ' 96' ' ' LEU . 23.9 tt0 169.03 -80.48 0.0 OUTLIER 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.021 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 97' ' ' ILE . 13.9 pt-20 -55.42 -24.12 28.69 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.473 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.404 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.4 pt? -42.7 -19.35 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 95' ' ' GLU . 3.4 mt -90.48 -58.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.642 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -61.66 -32.4 72.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.125 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -28.92 35.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.543 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.429 ' HA ' HD23 ' A' ' 103' ' ' LEU . . . -70.8 -22.36 62.37 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.5 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 19.8 mt -88.25 -30.71 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.259 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -92.83 -11.75 32.88 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -177.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 104' ' ' SER . 3.2 pp -96.2 -70.02 0.73 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.122 -1.031 . . . . 0.0 113.136 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.55 ' N ' ' CD1' ' A' ' 103' ' ' LEU . 26.9 m -100.41 -10.46 21.15 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.5 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 3.9 mm? . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.447 ' N ' HE21 ' A' ' 11' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.739 0.304 . . . . 0.0 111.296 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.8 pt -75.75 178.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -122.12 131.53 54.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.928 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.23 135.67 54.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.405 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -113.0 155.23 25.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.42 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.5 p -112.81 168.67 9.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.532 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -70.53 -3.92 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.298 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.5 p -104.99 -17.96 14.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.348 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.42 45.35 1.84 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 26.2 tptp -105.65 122.17 45.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -94.01 110.69 22.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.236 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 mp -115.99 133.31 62.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.0 m -106.27 127.81 53.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.118 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.03 135.67 46.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.748 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.44 96.35 6.03 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.706 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -124.01 177.25 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.256 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -94.98 154.54 17.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.688 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -62.43 -18.67 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.504 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.578 ' HA ' ' H ' ' A' ' 66' ' ' SER . 11.9 t -116.5 4.25 13.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.327 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -48.34 161.46 0.12 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.719 0.295 . . . . 0.0 110.953 -179.763 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.1 p -94.4 157.28 16.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.796 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.8 mm -52.33 -47.96 45.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.171 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -47.19 -43.61 21.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.213 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -42.34 95.05 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.84 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -58.86 -49.76 81.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.566 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HZ1' ' CB ' ' A' ' 36' ' ' LYS . 6.7 mtmp? -62.45 -60.54 3.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.196 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.7 p -48.06 -52.49 19.94 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.533 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -51.21 -32.85 25.3 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.226 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.442 HD11 HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -74.17 -43.5 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.807 179.767 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.497 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -59.56 -29.37 67.88 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.531 -179.138 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.497 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 25.8 t70 -71.17 -28.49 64.29 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -92.76 -36.23 13.0 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.155 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -115.05 1.8 14.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.42 -45.8 1.84 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.419 ' H ' HG12 ' A' ' 45' ' ' ILE . 6.2 mm -37.49 111.89 0.57 Allowed Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 122.086 0.154 . . . . 0.0 111.386 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -50.52 137.32 40.61 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 122.51 2.14 . . . . 0.0 111.921 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.429 ' HD3' ' CB ' ' A' ' 40' ' ' GLN . 2.5 Cg_endo -51.49 -44.27 44.83 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.732 2.288 . . . . 0.0 112.676 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.67 -18.2 65.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.352 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -84.29 -5.61 59.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.402 ' OE1' ' CG2' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -123.66 164.96 18.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.965 0.412 . . . . 0.0 111.226 -178.691 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -137.95 162.43 34.09 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.94 109.89 17.05 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.8 mp -111.28 117.39 54.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -130.53 135.08 47.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.966 0.412 . . . . 0.0 111.057 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.438 ' N ' HD13 ' A' ' 105' ' ' LEU . . . 58.94 57.34 3.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.272 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 51.89 11.54 0.96 Allowed Glycine 0 CA--C 1.529 0.919 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.854 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -127.75 141.36 51.61 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 117.226 0.513 . . . . 0.0 111.116 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -77.34 126.59 31.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.988 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.3 mt -86.13 146.29 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.095 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -88.74 133.28 34.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.085 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -49.83 -21.27 1.07 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.918 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.16 -0.51 88.72 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 121.292 -0.48 . . . . 0.0 111.978 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 mtt85 -74.81 164.06 26.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.841 0.353 . . . . 0.0 110.992 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.9 p -115.48 162.56 17.01 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.525 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 30' ' ' ASP . 8.9 mt -71.14 -37.82 72.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.871 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.578 ' H ' ' HA ' ' A' ' 29' ' ' SER . 44.5 t -72.43 -10.39 59.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -56.2 -61.51 2.35 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -86.15 -0.85 56.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.282 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 75.8 45.61 0.12 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.295 0.569 . . . . 0.0 109.757 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.2 mt -82.89 143.77 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.705 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -137.37 179.86 6.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.343 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 74' ' ' SER . 1.6 ptt85 -52.51 -48.62 65.9 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.901 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' H ' ' HG3' ' A' ' 72' ' ' ARG . 34.4 mt-10 -74.63 37.89 0.11 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.346 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 72' ' ' ARG . 15.1 t -118.18 143.72 46.29 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.817 0.341 . . . . 0.0 110.639 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -103.44 104.38 14.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.148 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.6 mp -85.34 157.26 20.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.902 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -117.58 107.81 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.676 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.8 tp -101.81 135.03 44.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.209 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.2 t -108.56 109.64 29.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.27 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.95 101.73 3.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.345 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.439 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 4.4 ttt180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.599 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.19 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -153.77 51.97 0.69 Allowed 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.297 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 1.5 tm-20 43.76 71.16 0.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.49 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 19.4 tt0 149.62 -74.22 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.739 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.29 -9.73 19.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.523 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.479 ' CD1' ' H ' ' A' ' 94' ' ' GLU . 0.4 OUTLIER -79.71 -13.04 59.74 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.565 -179.764 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.3 mt -94.41 -49.04 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.273 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -65.19 -34.97 79.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.705 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -27.68 50.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.412 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.03 -34.47 38.33 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.491 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 26.3 mt -67.43 -37.34 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.457 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -93.46 -27.18 16.85 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.594 ' HG ' ' N ' ' A' ' 104' ' ' SER . 0.3 OUTLIER -97.35 -52.63 3.74 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.842 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.594 ' N ' ' HG ' ' A' ' 103' ' ' LEU . 75.8 p -97.02 -14.33 21.7 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 1.9 mm? . . . . . 0 C--N 1.321 -0.655 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.522 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.412 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 7.4 pt20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.759 0.314 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 pt -74.67 174.02 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -121.92 136.89 54.95 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.73 143.93 49.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.525 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.3 tptm -132.87 125.85 30.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.521 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 64.5 p -71.91 162.46 29.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.017 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.29 -47.17 69.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.306 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.4 p -63.66 -17.07 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.374 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.47 50.98 1.16 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.991 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 28.2 tptp -106.7 114.43 28.53 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -82.73 116.36 22.05 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.692 0.282 . . . . 0.0 110.975 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.8 mt -133.09 128.09 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.584 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 m -104.32 133.49 49.13 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.277 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.47 136.65 46.85 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.967 0.413 . . . . 0.0 111.487 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.486 ' H ' ' NZ ' ' A' ' 38' ' ' LYS . 1.7 mm-40 -80.58 98.19 7.53 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.493 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.8 m -122.15 154.12 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.97 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -68.27 153.37 43.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.18 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.6 t -61.45 -19.15 61.67 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.725 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.618 ' HA ' ' H ' ' A' ' 66' ' ' SER . 6.1 t -118.25 4.65 11.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 160.46 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 111.258 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -101.45 162.56 12.81 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.361 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.436 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 28.7 mm -57.16 -49.1 80.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.643 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -46.71 -47.1 20.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.717 0.294 . . . . 0.0 110.535 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -63.74 -37.85 88.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.843 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.96 -44.11 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.224 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.43 -64.24 1.01 Allowed 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.952 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.415 ' N ' ' HB3' ' A' ' 47' ' ' PRO . 18.7 p -49.61 -50.62 42.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.461 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.486 ' NZ ' ' H ' ' A' ' 25' ' ' GLU . 17.6 tptp -51.1 -30.32 15.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.027 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.548 ' CG2' ' NE2' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -75.47 -40.13 41.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.309 179.468 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' GLY . 4.3 pt20 -56.95 -27.86 61.57 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.882 0.372 . . . . 0.0 110.177 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.68 -26.11 65.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -92.57 -39.49 11.32 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.08 -0.964 . . . . 0.0 112.326 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 45' ' ' ILE . 10.0 mm-40 -117.28 3.86 12.6 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.45 -37.61 0.7 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.542 ' HB ' ' NE2' ' A' ' 50' ' ' GLN . 4.8 mm -46.5 122.14 6.7 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -50.33 139.17 36.96 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.872 2.381 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HB3' ' N ' ' A' ' 37' ' ' SER . 2.4 Cg_endo -48.59 -41.16 37.67 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 123.379 2.719 . . . . 0.0 112.887 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -69.45 -14.73 63.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.971 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.57 -15.46 37.34 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.415 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.548 ' NE2' ' CG2' ' A' ' 39' ' ' ILE . 5.8 mt-30 -105.3 138.57 41.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.486 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.477 ' HE ' ' C ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -117.54 145.17 44.43 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.462 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.5 mp -119.55 123.07 43.06 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.592 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mp -113.03 122.06 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.091 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -126.94 127.16 44.42 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.855 0.36 . . . . 0.0 110.206 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.513 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 56.39 60.48 3.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.494 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.49 6.97 1.2 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.865 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -124.29 138.1 54.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.237 0.518 . . . . 0.0 111.109 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.77 122.77 23.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.968 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 67.5 mt -69.06 126.75 30.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -85.18 141.59 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.343 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.436 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -50.19 -16.29 0.3 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.15 -178.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.84 -1.0 68.17 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.902 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -75.84 148.28 38.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.82 0.343 . . . . 0.0 111.0 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -110.96 167.88 9.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.1 mt -80.85 -46.18 15.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.473 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.618 ' H ' ' HA ' ' A' ' 29' ' ' SER . 23.0 t -68.76 -9.49 51.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.571 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -50.95 -61.78 2.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.958 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -103.72 -2.69 26.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.425 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.8 m120 68.21 45.03 1.31 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.259 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -17.99 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.713 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.449 ' HB3' ' H ' ' A' ' 72' ' ' ARG . 7.4 mm-40 58.4 -159.83 0.27 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.62 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.449 ' H ' ' HB3' ' A' ' 71' ' ' GLN . 5.5 ptm180 -101.51 -38.75 7.84 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.753 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.85 58.4 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 0.0 110.717 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.4 t -131.56 152.92 50.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.685 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.57 103.93 14.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.329 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -81.85 105.02 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.876 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.9 109.62 4.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.748 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 16' ' ' THR . 6.8 tt -117.92 152.17 35.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.434 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 51' ' ' ARG . 18.5 m -130.15 133.66 63.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.8 mt -91.91 125.38 36.59 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.784 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.415 179.667 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.12 -65.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -166.5 -40.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.435 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -111.92 -47.06 3.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.454 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.83 -10.8 10.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.93 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.79 -9.66 58.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.507 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.0 mt -92.5 -58.45 3.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.597 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -58.48 -34.7 71.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.436 ' O ' ' CD2' ' A' ' 103' ' ' LEU . 2.3 pttp -80.23 -28.82 38.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.317 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.48 ' HA ' HD21 ' A' ' 103' ' ' LEU . . . -69.4 -19.99 63.81 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.476 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 21.2 mt -88.85 -33.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.093 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.67 -12.36 34.35 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.547 ' CD1' ' N ' ' A' ' 104' ' ' SER . 3.0 pp -96.27 -68.55 0.79 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 119.261 -0.976 . . . . 0.0 113.055 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.547 ' N ' ' CD1' ' A' ' 103' ' ' LEU . 48.5 t -99.65 -10.9 21.42 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -177.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.513 HD12 ' H ' ' A' ' 55' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.045 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.552 HE21 HH12 ' A' ' 72' ' ' ARG . 11.4 pt20 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.885 0.374 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.8 pt -75.15 174.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -122.89 132.22 54.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.868 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.66 134.06 55.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.805 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -130.6 117.06 18.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.014 0.435 . . . . 0.0 110.913 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.2 p -73.75 172.24 11.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.39 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.426 ' CD2' ' HA ' ' A' ' 96' ' ' LEU . 13.2 tp -70.88 -9.85 58.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.3 p -84.71 -20.6 30.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.524 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.53 27.51 7.56 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 3.7 tmtm? -96.32 121.73 38.43 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -92.95 131.12 38.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 0.0 110.651 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 mp -132.74 129.25 58.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.525 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -106.62 120.6 42.39 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.287 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.71 140.69 52.2 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -86.16 113.78 22.48 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.455 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 m -138.95 155.1 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.053 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.68 161.23 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.212 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 18.2 t -64.43 -16.89 63.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.572 ' HA ' ' H ' ' A' ' 66' ' ' SER . 2.9 t -117.6 4.74 12.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.558 -178.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.48 157.0 0.07 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 111.002 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.2 p -106.66 164.71 11.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.975 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.459 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 38.1 mm -50.97 -53.2 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.889 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -42.34 -50.56 5.04 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.979 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -63.86 -36.86 85.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.519 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.12 -50.58 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.062 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -58.78 -61.32 2.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.229 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.0 p -47.82 -47.62 31.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.457 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -52.1 -33.42 39.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.103 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -47.58 44.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.28 -30.06 61.98 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -178.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.507 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 17.3 t70 -74.59 -27.56 60.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.186 0.517 . . . . 0.0 109.678 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -92.32 -41.54 10.31 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.228 -0.897 . . . . 0.0 112.364 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -115.76 4.06 13.94 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' ILE . . . 78.66 -47.03 2.96 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.738 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.419 ' O ' ' CB ' ' A' ' 40' ' ' GLN . 8.3 mm -31.57 129.15 0.3 Allowed Pre-proline 0 N--CA 1.468 0.439 0 C-N-CA 122.356 0.262 . . . . 0.0 111.292 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.2 Cg_exo -72.63 136.47 25.83 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.493 2.128 . . . . 0.0 112.201 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -54.02 -42.06 70.03 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -62.58 -7.39 4.63 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.426 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -112.01 -5.68 14.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.8 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -96.89 131.98 43.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.666 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -112.69 139.37 48.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -111.71 113.72 26.27 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.668 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.5 mp -115.17 124.15 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.463 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -142.11 135.9 29.54 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.131 0.491 . . . . 0.0 110.749 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.572 ' H ' HD13 ' A' ' 105' ' ' LEU . . . 59.06 55.2 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.586 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.443 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 56.92 5.43 1.34 Allowed Glycine 0 CA--C 1.528 0.886 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.722 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 55' ' ' ALA . 57.4 mmtt -128.19 146.5 50.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.21 0.505 . . . . 0.0 111.278 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -77.96 123.23 26.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.893 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 54' ' ' TRP . 54.5 mt -72.77 135.74 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.104 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -90.89 137.24 32.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.717 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 13.1 t70 -45.69 -28.05 0.93 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.945 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.3 2.62 61.29 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -78.42 147.75 33.89 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 p -117.54 159.77 22.32 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.749 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.41 ' HB3' ' O ' ' A' ' 28' ' ' SER . 7.1 mt -68.93 -42.29 76.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.599 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.572 ' H ' ' HA ' ' A' ' 29' ' ' SER . 33.6 t -69.25 -10.78 59.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.161 -179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -58.12 -61.03 2.85 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -86.57 -1.86 58.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.494 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 70.52 23.16 4.88 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.134 0.492 . . . . 0.0 109.841 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.9 mt -53.47 132.34 16.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.557 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.5 -146.98 0.15 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.977 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.552 HH12 HE21 ' A' ' 11' ' ' GLN . 4.5 ptm180 -100.15 -38.42 8.53 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.685 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -76.17 7.58 4.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.3 p -66.74 139.72 57.83 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.5 m -101.87 103.03 13.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.101 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.4 157.98 17.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.438 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.95 115.95 24.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.845 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.8 tt -113.95 89.85 3.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.8 m -79.56 133.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.4 mt -94.42 117.77 30.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.266 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.82 179.345 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -93.88 -55.0 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.298 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -178.88 -44.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.186 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.55 -47.26 3.66 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.793 0.33 . . . . 0.0 110.381 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -56.08 -24.95 43.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.001 -179.361 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -58.41 -17.1 17.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.492 ' N ' HD23 ' A' ' 96' ' ' LEU . 2.3 mt -96.24 -50.82 11.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 99' ' ' LYS . 8.7 ptm180 -55.13 -43.42 74.14 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.729 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 103' ' ' LEU . 33.1 mtmm -68.33 -73.73 0.14 Allowed 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 120.56 -0.456 . . . . 0.0 109.975 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -33.96 -29.14 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' LYS . 25.2 mt -76.06 -54.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.018 0.437 . . . . 0.0 110.344 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -83.42 -10.21 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.087 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 99' ' ' LYS . 65.1 tp -92.76 -72.15 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.33 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.4 m -97.2 -19.65 18.46 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.572 HD13 ' H ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.488 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.768 0.318 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.0 pt -144.78 168.66 9.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.043 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -112.3 117.64 33.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.215 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.15 131.08 55.99 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.9 ttpm? -124.87 117.14 23.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.119 0.485 . . . . 0.0 111.485 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 70.2 p -70.74 166.29 21.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.418 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.4 tp -64.59 -21.28 66.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.495 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p -74.35 -17.32 60.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.409 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.54 28.57 8.89 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 1.8 tmmm? -100.13 131.53 46.02 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 m -92.06 132.58 36.46 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.636 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.9 mt -133.5 129.56 56.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.986 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.7 m -106.46 126.58 52.43 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.155 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -133.02 141.81 48.47 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.217 -179.468 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.56 112.4 18.75 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.605 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.92 -173.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.294 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -107.31 161.21 15.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.845 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.2 m -64.7 -20.45 66.33 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.062 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.598 ' HA ' ' H ' ' A' ' 66' ' ' SER . 84.2 p -117.87 4.14 12.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.491 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.17 156.01 0.11 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.704 0.288 . . . . 0.0 110.659 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -98.19 160.28 14.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.537 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.8 mm -48.35 -50.82 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.795 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -43.28 15.95 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.737 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -66.63 -37.49 84.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.261 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.82 -49.9 77.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.077 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -57.65 -62.55 1.71 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.257 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 p -45.18 -48.83 12.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.505 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -36.3 33.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.182 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.604 ' CG2' HE22 ' A' ' 50' ' ' GLN . 0.5 OUTLIER -68.6 -43.96 83.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.545 179.767 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.44 -29.3 58.38 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.487 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.35 -23.42 60.22 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -92.38 -42.61 9.69 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.236 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -120.83 5.98 10.45 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.77 -41.31 1.91 Allowed Glycine 0 CA--C 1.529 0.961 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.895 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.9 mm -35.51 123.99 0.63 Allowed Pre-proline 0 N--CA 1.468 0.446 0 N-CA-C 111.593 0.219 . . . . 0.0 111.593 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -70.84 135.21 27.37 Favored 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 122.471 2.114 . . . . 0.0 111.908 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.75 -39.44 67.13 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 123.033 2.489 . . . . 0.0 112.504 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.2 -2.5 2.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 112.179 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -115.94 2.18 13.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.604 HE22 ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -127.84 171.11 12.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.157 0.504 . . . . 0.0 111.338 -178.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -150.89 176.72 10.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.644 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.12 128.27 33.79 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.291 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.95 128.36 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -137.59 131.49 31.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.157 0.504 . . . . 0.0 111.106 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.516 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 59.4 59.6 2.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.733 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.401 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 52.88 9.36 0.78 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-N 116.256 -0.429 . . . . 0.0 113.08 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -133.21 141.76 48.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.384 0.592 . . . . 0.0 110.957 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -70.21 128.79 37.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.902 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.6 mt -67.12 -148.13 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.922 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -174.4 140.4 0.64 Allowed 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.479 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -48.48 -23.61 1.02 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.498 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.28 -0.3 89.46 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.741 -0.543 . . . . 0.0 111.741 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -86.81 146.13 26.35 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.4 p -114.85 162.66 16.6 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.12 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.89 -36.08 75.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.598 ' H ' ' HA ' ' A' ' 29' ' ' SER . 84.3 p -78.55 -9.97 59.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.789 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -55.66 -61.84 2.08 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.052 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.0 3.65 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.231 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 m120 70.19 33.27 2.68 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.216 0.531 . . . . 0.0 109.924 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.78 107.3 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.326 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -72.42 157.33 37.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.509 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 ptt-85 -49.28 -42.97 42.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.285 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.37 62.89 6.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.654 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.7 m -122.56 151.43 41.41 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.8 m -98.26 97.65 9.02 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.644 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.97 155.76 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.801 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -120.43 108.08 13.68 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.514 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 16' ' ' THR . 3.8 tt -102.58 140.19 37.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.005 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 73.3 t -108.3 136.43 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.272 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.9 mt -119.33 117.47 28.64 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.148 179.606 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.779 0.323 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.86 -43.31 1.23 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.172 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 169.13 -51.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.757 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -102.06 -49.97 3.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.48 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.2 -39.89 73.16 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.188 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -40.67 -24.56 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.32 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 96' ' ' LEU . 2.1 mt -77.51 -61.75 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.18 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -66.8 -25.57 66.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.291 0.567 . . . . 0.0 109.631 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 35.9 tptt -73.6 -40.77 63.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.638 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.88 -23.41 60.73 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.967 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.494 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 38.9 mt -75.73 -36.2 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.646 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.64 -10.86 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.629 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 1.2 mm? -92.34 -72.85 0.57 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.966 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.0 m -98.73 -14.73 19.63 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.516 HD11 ' H ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.993 -178.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 72' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.149 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 pt -145.15 164.56 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.804 0.335 . . . . 0.0 110.32 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -109.53 121.84 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.051 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.35 117.25 32.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.708 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.6 152.48 21.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.061 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.2 p -112.66 159.93 18.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.429 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.49 -47.17 66.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.835 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.5 p -61.52 -20.09 62.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.796 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.36 47.2 2.05 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.09 130.55 53.97 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 m -92.31 125.54 37.02 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.692 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.1 mt -132.73 133.85 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.623 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.4 m -110.22 128.38 55.47 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.566 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.61 141.79 47.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.483 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.58 94.62 9.09 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 m -129.11 160.09 40.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.635 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -73.25 150.43 42.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.251 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 29.5 m -66.17 -13.16 59.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.748 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.58 ' HA ' ' H ' ' A' ' 66' ' ' SER . 82.7 p -119.81 3.42 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.765 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.38 172.12 0.07 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.4 p -99.09 162.13 13.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.206 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.404 HG22 HD11 ' A' ' 32' ' ' ILE . 45.5 mm -57.37 -37.54 57.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.79 -47.09 64.36 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.141 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.66 -44.13 97.03 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.668 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -59.4 -45.93 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.527 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' C ' ' HB3' ' A' ' 47' ' ' PRO . 47.3 mttt -62.61 -59.21 5.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.074 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.8 p -48.47 -45.29 36.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.938 0.399 . . . . 0.0 110.071 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -30.06 64.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.848 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -65.84 -48.13 83.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.494 179.53 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -67.39 -18.46 65.13 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.275 -179.654 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.09 -38.07 53.07 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -88.28 -36.47 16.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.012 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 45' ' ' ILE . 7.9 mp0 -115.34 8.28 15.35 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 66.64 -51.26 0.21 Allowed Glycine 0 CA--C 1.53 0.991 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.955 178.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' GLU . 83.7 mt -38.2 127.37 1.04 Allowed Pre-proline 0 CA--C 1.532 0.288 0 C-N-CA 122.351 0.26 . . . . 0.0 111.187 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 2.6 Cg_endo -44.6 142.47 4.73 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 123.056 2.504 . . . . 0.0 112.544 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 3.1 Cg_exo -69.72 -39.62 6.36 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.652 2.235 . . . . 0.0 111.925 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.23 -33.73 75.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.71 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.424 HE21 ' HB2' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -65.03 -10.72 32.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.832 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -116.18 161.87 18.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.913 0.387 . . . . 0.0 110.699 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.629 ' HE ' ' HE ' ' A' ' 81' ' ' ARG . 4.9 mtt-85 -137.44 162.33 33.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.54 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.98 112.0 17.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.965 0.412 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.6 mp -114.92 123.77 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.29 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -151.18 138.95 19.78 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.937 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.66 39.07 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.479 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.542 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 66.65 -4.0 3.3 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.313 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -112.3 125.39 54.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.907 0.384 . . . . 0.0 110.704 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -71.15 130.78 42.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.647 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.0 mt -89.26 149.94 22.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.558 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -129.43 168.85 15.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -56.33 -32.68 64.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.55 -20.86 79.7 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -72.96 149.98 42.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.802 0.334 . . . . 0.0 110.585 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.35 162.36 16.16 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.606 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 28' ' ' SER . 9.1 mt -72.4 -45.79 58.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.368 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.58 ' H ' ' HA ' ' A' ' 29' ' ' SER . 43.6 t -68.02 -10.19 51.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -57.44 -20.67 31.93 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.993 0.425 . . . . 0.0 110.376 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -126.16 1.89 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.4 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 76.67 37.66 0.3 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.707 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.9 mt -77.46 95.32 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.167 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.38 -129.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.057 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -101.78 -47.08 4.72 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.372 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -77.76 48.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.749 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 m -110.0 139.2 45.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.769 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.4 m -94.64 100.16 12.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mp -81.35 121.76 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.722 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -91.13 111.87 23.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.029 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.454 ' HG ' ' N ' ' A' ' 79' ' ' VAL . 1.2 tt -115.64 148.26 39.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.231 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.454 ' N ' ' HG ' ' A' ' 78' ' ' LEU . 22.6 m -121.7 127.91 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.87 138.17 31.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.795 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.629 ' HE ' ' HE ' ' A' ' 51' ' ' ARG . 10.9 mtt-85 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.389 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.675 0.274 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -154.55 37.36 0.42 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.197 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 56.86 57.73 4.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.536 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.446 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.1 mm-40 166.05 -87.46 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.256 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 97' ' ' ILE . 8.9 pt-20 -48.06 -31.33 5.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.991 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.446 HD23 ' H ' ' A' ' 94' ' ' GLU . 0.8 OUTLIER -39.99 -24.4 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.265 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 95' ' ' GLU . 2.5 mt -87.62 -63.64 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.762 0.315 . . . . 0.0 110.818 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -63.19 -32.55 73.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.453 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 6.5 ptmm? -75.43 -28.41 59.34 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.493 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.06 -25.24 59.72 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.448 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 18.4 mt -79.41 -31.74 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -90.98 -10.09 43.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.44 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -94.32 -73.31 0.58 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.321 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.8 p -98.99 -9.38 24.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.542 ' HG ' ' H ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.206 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.973 -178.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.818 0.342 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.6 pt -73.8 179.0 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.692 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -119.2 128.66 54.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.732 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.29 132.01 56.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.721 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 5.9 ttpt -122.58 118.1 27.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.91 0.386 . . . . 0.0 111.023 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.633 ' HG1' ' H ' ' A' ' 20' ' ' LYS . 41.0 p -68.29 169.0 11.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.496 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 96' ' ' LEU . 27.3 tp -66.14 -22.62 66.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.471 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -79.69 -20.44 46.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.701 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.15 42.75 2.34 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.633 ' H ' ' HG1' ' A' ' 16' ' ' THR . 19.3 tptm -102.94 124.97 49.44 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.2 121.3 27.75 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.4 mt -132.45 130.92 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.772 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 m -106.72 128.46 54.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.316 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.38 140.12 48.37 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -83.15 104.35 13.27 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 m -131.62 149.66 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.229 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -71.56 163.34 27.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.083 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.5 p -68.33 -21.74 64.73 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.767 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.549 ' HA ' ' H ' ' A' ' 66' ' ' SER . 26.8 t -114.73 4.15 14.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.421 -178.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.53 160.04 0.19 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.0 p -97.73 157.38 16.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 mm -53.18 -48.08 54.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.158 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -50.96 -45.4 60.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.281 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -64.03 -42.99 96.89 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.748 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -58.83 -46.53 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.604 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -63.54 -60.36 3.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.358 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.1 p -46.9 -49.74 19.92 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.88 0.372 . . . . 0.0 110.155 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.28 -37.52 36.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.86 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.487 HG22 HD13 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -66.15 -40.27 86.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.551 179.635 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -61.63 -27.75 68.89 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.758 0.313 . . . . 0.0 110.874 -179.719 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.7 -25.83 49.69 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.8 -45.21 10.51 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 114.515 -1.22 . . . . 0.0 111.822 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -123.02 10.56 9.45 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 76.48 -43.36 1.82 Allowed Glycine 0 CA--C 1.526 0.777 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.71 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.5 mm -35.03 118.48 0.58 Allowed Pre-proline 0 N--CA 1.466 0.347 0 CA-C-O 120.518 0.199 . . . . 0.0 111.3 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -69.4 138.82 39.93 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.421 2.081 . . . . 0.0 112.089 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -49.76 -36.17 41.25 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.971 2.448 . . . . 0.0 112.128 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.66 -37.83 82.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.372 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -73.53 -10.41 59.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.332 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -128.63 176.09 8.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.242 0.544 . . . . 0.0 111.717 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.485 HH12 HH21 ' A' ' 81' ' ' ARG . 0.0 OUTLIER -155.04 173.38 16.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.61 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -118.7 115.43 24.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.674 0.273 . . . . 0.0 111.099 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.98 116.01 51.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -134.54 135.77 42.57 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.902 0.382 . . . . 0.0 111.235 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.412 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 59.37 53.35 5.29 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.333 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 54.9 7.82 1.17 Allowed Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.425 -0.352 . . . . 0.0 112.43 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 55' ' ' ALA . 28.9 mmtm -124.61 132.2 53.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -72.14 129.34 38.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.935 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.6 mt -86.44 149.44 25.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.73 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.7 148.88 25.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.769 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -51.7 -18.42 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.571 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.27 -7.31 67.71 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.057 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 154.67 41.65 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 117.009 0.405 . . . . 0.0 110.428 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.0 p -116.18 165.57 13.0 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mt -81.36 -39.51 24.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.383 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.549 ' H ' ' HA ' ' A' ' 29' ' ' SER . 66.4 p -73.19 -10.52 59.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.267 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -55.15 -62.01 1.95 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.77 3.52 47.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.412 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.54 29.29 2.67 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.254 0.55 . . . . 0.0 109.957 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.7 mt -55.17 108.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.244 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -156.24 0.07 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.015 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.467 ' HG2' ' H ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -88.66 -44.83 10.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.682 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.467 ' H ' ' HG2' ' A' ' 72' ' ' ARG . 28.8 mm-40 -79.08 49.3 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 0.0 110.017 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.8 p -106.11 134.2 49.61 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.877 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.7 m -90.07 94.97 10.0 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.743 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.59 139.61 30.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.524 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.44 115.48 30.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 16' ' ' THR . 0.5 OUTLIER -103.38 133.56 48.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.553 -179.375 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.74 132.69 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.133 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.5 mt -117.55 129.96 56.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.485 HH21 HH12 ' A' ' 51' ' ' ARG . 3.9 ttm180 . . . . . 0 C--O 1.233 0.199 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.312 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.654 0.264 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -148.25 37.4 0.85 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.698 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 94' ' ' GLU . 3.8 mt-10 54.41 57.58 5.69 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.411 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.454 ' H ' HD23 ' A' ' 96' ' ' LEU . 3.7 tm-20 168.84 -85.35 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 97' ' ' ILE . 6.8 pt-20 -53.16 -35.82 60.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.198 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.454 HD23 ' H ' ' A' ' 94' ' ' GLU . 1.3 pt? -33.84 -28.08 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 95' ' ' GLU . 3.1 mt -95.42 -48.9 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.424 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.549 ' CG ' ' N ' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -53.66 -49.9 66.94 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -179.369 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.549 ' N ' ' CG ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -65.78 -70.54 0.23 Allowed 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' LYS . . . -33.87 -38.65 0.06 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.435 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 22.3 mt -66.27 -47.74 83.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 120.927 0.394 . . . . 0.0 110.391 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -87.45 -10.41 51.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.072 -179.274 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 99' ' ' LYS . 17.6 mt -90.21 -73.32 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.2 t -100.57 -10.4 21.04 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.719 -178.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.793 0.33 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.1 pt -74.38 176.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.0 134.87 53.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.866 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.34 135.45 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.343 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.7 ttpt -132.14 122.36 25.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.046 0.45 . . . . 0.0 110.98 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.4 p -78.77 175.4 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.765 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.19 -48.36 78.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.601 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 p -62.12 -17.91 59.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.711 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.27 43.63 3.43 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 10.7 tptp -90.58 111.21 22.43 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -81.45 118.55 22.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.635 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -131.34 128.06 60.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.387 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 m -105.62 128.07 53.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.44 137.34 47.23 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -82.36 103.9 12.26 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.778 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.2 m -130.52 172.71 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.447 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -87.0 153.68 21.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.933 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -64.31 -17.0 63.25 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.539 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.546 ' HA ' ' H ' ' A' ' 66' ' ' SER . 3.8 m -118.66 3.92 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.075 -178.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.89 162.87 0.07 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 110.621 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.3 p -96.77 158.96 15.18 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.462 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 mm -55.91 -46.67 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.424 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -48.06 -43.73 30.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.697 0.284 . . . . 0.0 110.661 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -37.86 88.5 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.77 -44.11 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.54 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -63.09 -64.28 0.96 Allowed 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.287 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.3 p -45.34 -53.27 8.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.888 0.375 . . . . 0.0 110.556 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.39 -35.54 19.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.338 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 40' ' ' GLN . 0.4 OUTLIER -64.57 -44.53 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.46 ' N ' HG23 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -62.06 -27.22 68.75 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-O 120.647 0.26 . . . . 0.0 111.286 -179.467 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 14.0 t70 -73.29 -31.42 64.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -91.91 -35.9 13.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.221 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -117.22 3.67 12.63 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.41 ' CA ' ' O ' ' A' ' 40' ' ' GLN . . . 74.29 -45.78 1.51 Allowed Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mm -41.04 117.07 1.48 Allowed Pre-proline 0 CA--C 1.531 0.248 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.08 143.75 17.62 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.603 2.202 . . . . 0.0 112.237 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -54.2 -40.93 80.0 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.671 2.247 . . . . 0.0 112.026 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.27 -36.03 82.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.176 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -17.98 64.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.272 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -109.39 152.43 25.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.1 0.476 . . . . 0.0 111.396 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.33 159.21 42.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.149 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mp -118.81 121.17 39.42 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.299 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -117.63 124.85 73.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.449 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -150.24 143.14 24.78 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.1 0.476 . . . . 0.0 111.465 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 64.12 53.4 1.82 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.99 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.09 5.8 1.62 Allowed Glycine 0 CA--C 1.528 0.845 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.618 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 55' ' ' ALA . 7.5 tttp -136.45 156.84 48.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.125 0.463 . . . . 0.0 111.048 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -84.04 127.57 33.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.297 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.5 mt -72.32 129.67 38.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.506 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -81.08 133.02 35.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.652 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -51.75 -27.53 12.34 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.585 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.3 -3.45 85.7 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -78.78 157.63 28.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.811 0.338 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.4 p -114.65 170.13 8.55 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 mt -74.84 -41.03 60.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.789 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.546 ' H ' ' HA ' ' A' ' 29' ' ' SER . 17.4 p -69.14 -10.13 56.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.659 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.77 -28.54 49.54 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.132 0.491 . . . . 0.0 109.959 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -126.24 -2.48 6.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.572 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 75.82 33.98 0.59 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.277 0.561 . . . . 0.0 109.76 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.9 mt -62.53 122.41 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.631 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -105.01 169.57 8.36 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 2.3 ptt180 -49.62 -42.77 45.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.419 ' H ' ' HG3' ' A' ' 72' ' ' ARG . 31.0 mt-10 -78.79 46.83 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.231 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -124.07 149.6 45.96 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 m -105.02 104.34 14.06 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mp -82.67 132.88 35.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.766 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -94.33 106.04 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.6 tt -107.48 143.79 35.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.467 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.3 t -111.57 131.29 63.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.9 130.91 50.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.877 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -149.78 39.89 0.8 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 0.5 OUTLIER 48.73 74.34 0.18 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.761 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 15.8 tt0 149.76 -76.29 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.301 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -64.94 -9.99 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.217 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.476 ' CD1' ' H ' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -74.02 -10.76 59.97 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.952 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.5 mt -92.19 -52.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.3 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -64.82 -33.65 76.49 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 0.2 OUTLIER -74.56 -29.3 61.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.646 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.06 -33.39 50.92 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.497 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 7.5 mt -64.96 -37.78 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.601 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -92.64 -10.2 38.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.142 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.5 OUTLIER -88.38 -74.4 0.46 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.117 -178.624 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.5 m -100.34 -11.35 20.37 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.497 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 5.3 mp . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.704 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.408 ' HA ' ' HA ' ' A' ' 25' ' ' GLU . 12.4 pt20 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.945 0.402 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.402 HG22 HD12 ' A' ' 12' ' ' ILE . 31.8 pt -83.5 -171.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.679 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -124.22 133.55 53.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.303 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.47 140.89 52.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.102 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.2 ttpp -128.05 117.92 22.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.1 p -66.18 170.27 6.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.614 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.55 ' CD1' ' HZ2' ' A' ' 99' ' ' LYS . 3.1 tm? -57.7 -46.3 84.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.919 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -61.92 -21.06 64.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.65 42.45 2.49 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 10.0 ttmt -98.97 125.06 44.34 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.28 125.13 32.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 mt -133.19 129.51 57.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.278 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 m -107.4 125.78 51.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.538 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.622 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -132.71 141.96 48.82 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -78.46 106.43 10.4 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.565 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.66 148.34 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.5 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.11 158.76 35.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.873 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 20.9 t -66.61 -17.48 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.257 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.563 ' HA ' ' H ' ' A' ' 66' ' ' SER . 59.6 p -117.71 4.17 12.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.209 -178.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -47.41 159.64 0.13 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.765 0.317 . . . . 0.0 110.518 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.8 p -94.65 158.49 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.242 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.0 mm -55.02 -46.56 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.425 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -44.96 -46.21 10.94 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.659 0.266 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.44 -36.81 84.97 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.858 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.88 -44.72 96.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.693 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HA ' ' NE2' ' A' ' 50' ' ' GLN . 20.6 mtmm -65.68 -64.11 0.94 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.448 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -49.64 -53.1 26.15 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.776 0.322 . . . . 0.0 110.368 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -35.16 22.0 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -43.35 97.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.9 pt20 -59.33 -26.65 65.21 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-O 120.861 0.363 . . . . 0.0 110.501 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.59 -29.42 63.5 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -89.73 -38.94 13.48 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.294 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' A' ' 45' ' ' ILE . 21.3 mt-10 -122.93 8.6 9.33 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.19 -38.07 0.67 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.575 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.499 ' H ' ' C ' ' A' ' 43' ' ' GLU . 18.2 mt -42.72 114.59 1.52 Allowed Pre-proline 0 CA--C 1.532 0.267 0 CA-C-O 120.578 0.228 . . . . 0.0 111.578 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 2.4 Cg_endo -50.12 143.57 24.88 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.898 2.399 . . . . 0.0 112.123 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -52.36 -29.54 39.38 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.596 2.197 . . . . 0.0 112.061 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.1 -45.42 34.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.374 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -23.63 54.82 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.141 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -109.17 157.33 18.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.853 0.358 . . . . 0.0 110.641 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.439 ' NH2' HH12 ' A' ' 81' ' ' ARG . 0.1 OUTLIER -131.86 165.16 24.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.812 179.729 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.55 112.23 16.6 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.72 0.295 . . . . 0.0 110.478 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.8 mp -112.49 126.01 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -136.2 131.12 34.18 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.917 0.389 . . . . 0.0 111.219 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 60.62 61.69 1.66 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.174 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.48 ' H ' ' CD1' ' A' ' 105' ' ' LEU . . . 51.4 9.91 0.48 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.949 178.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HZ2' HH12 ' A' ' 63' ' ' ARG . 0.3 OUTLIER -134.66 142.07 46.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.137 0.468 . . . . 0.0 110.944 -179.591 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 129.57 38.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.977 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.8 mt -66.61 -142.76 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.813 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 178.23 144.95 0.12 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.929 0.395 . . . . 0.0 111.046 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -49.03 -42.28 37.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.179 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.11 -7.19 66.37 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.485 HH12 ' HZ2' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -84.26 152.42 24.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.816 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.5 p -114.57 169.08 9.32 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.636 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' ASP . 7.2 mt -72.42 -41.54 66.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.695 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.563 ' H ' ' HA ' ' A' ' 29' ' ' SER . 29.6 t -66.66 -9.77 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.693 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.48 -23.39 62.71 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.055 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -125.68 -6.49 6.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.207 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 m120 74.94 43.51 0.22 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.354 0.597 . . . . 0.0 109.444 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG22 HD13 ' A' ' 70' ' ' ILE . 37.1 mm -66.42 117.6 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.668 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -95.39 167.42 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.404 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -44.53 69.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.143 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.8 50.25 1.78 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.828 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 t -117.86 147.76 42.77 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.772 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 m -105.53 101.27 10.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.205 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mp -85.07 120.79 26.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.055 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -78.52 106.99 10.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.0 tt -98.97 132.98 43.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.706 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 t -96.17 125.84 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.87 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 tp -112.18 116.66 30.82 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.439 HH12 ' NH2' ' A' ' 51' ' ' ARG . 1.2 ptm180 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.369 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -150.88 40.57 0.73 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.804 0.335 . . . . 0.0 110.802 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 94' ' ' GLU . 0.5 OUTLIER 50.96 70.15 0.56 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.926 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 93' ' ' GLU . 2.5 tm-20 165.31 -83.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 96' ' ' LEU . 1.3 pm0 -56.53 -34.18 66.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.282 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 96' ' ' LEU . 1.3 pt? -34.64 -31.42 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -178.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.4 mt -74.01 -59.86 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.837 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -65.48 -28.82 69.48 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.55 ' HZ2' ' CD1' ' A' ' 17' ' ' LEU . 14.5 ttpp -70.63 -38.25 73.88 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.011 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.461 ' HA ' HD23 ' A' ' 103' ' ' LEU . . . -73.01 -18.15 61.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.634 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.403 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 29.8 mt -89.54 -33.46 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.064 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -91.22 -11.79 37.21 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 104' ' ' SER . 3.2 pp -95.6 -67.72 0.84 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 119.404 -0.918 . . . . 0.0 112.75 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.556 ' N ' ' CD1' ' A' ' 103' ' ' LEU . 5.4 m -98.79 -15.65 19.2 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.48 ' CD1' ' H ' ' A' ' 56' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.583 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.966 0.412 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 pt -68.14 165.62 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.481 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -106.35 118.49 36.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.797 178.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.71 120.17 41.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.658 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.552 ' HG3' ' N ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -105.15 155.1 19.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.994 179.324 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.553 ' HG1' ' H ' ' A' ' 20' ' ' LYS . 73.1 p -112.61 167.24 10.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.141 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.24 -48.97 73.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.972 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.3 p -61.12 -19.93 62.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.03 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.39 35.78 4.85 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.821 -0.512 . . . . 0.0 111.821 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.553 ' H ' ' HG1' ' A' ' 16' ' ' THR . 0.5 OUTLIER -89.74 140.32 29.7 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.386 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.408 ' CG2' ' CE1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -97.05 121.63 39.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 110.984 -179.569 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.1 mt -133.56 133.85 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 84.6 m -112.9 133.56 54.82 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.828 0.347 . . . . 0.0 111.158 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.33 138.4 46.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.589 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.37 105.2 14.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.779 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.4 m -137.33 165.16 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.159 0.504 . . . . 0.0 111.736 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -78.53 158.83 28.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.835 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.6 p -68.6 -17.16 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.099 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.583 ' HA ' ' H ' ' A' ' 66' ' ' SER . 1.1 m -116.81 3.66 12.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.434 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.33 163.32 0.17 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.635 0.255 . . . . 0.0 110.541 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.5 p -97.16 160.57 14.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.152 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 mm -52.24 -43.19 38.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -48.08 -45.32 32.39 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.373 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -64.04 -38.98 93.04 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.735 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.04 -48.24 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.708 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -61.25 -59.36 5.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.072 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.5 p -47.29 -47.18 25.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.216 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -52.02 -38.18 55.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.057 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.471 HG23 HD11 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -64.38 -44.13 97.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.536 179.56 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.3 pt20 -60.93 -29.85 69.86 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.592 0.234 . . . . 0.0 111.388 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.78 -25.96 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.507 ' HD3' ' N ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -92.22 -40.24 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.93 -178.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 45' ' ' ILE . 13.3 mp0 -122.37 7.5 9.61 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 73.87 -40.43 0.99 Allowed Glycine 0 CA--C 1.531 1.034 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.09 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.429 ' H ' ' C ' ' A' ' 43' ' ' GLU . 27.8 mt -37.78 124.34 0.98 Allowed Pre-proline 0 N--CA 1.467 0.377 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -54.82 132.45 51.99 Favored 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.685 2.257 . . . . 0.0 111.494 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -48.92 -43.95 33.75 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 122.846 2.364 . . . . 0.0 112.617 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -63.62 -28.4 69.89 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.999 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -69.7 -12.29 61.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.078 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.15 157.5 19.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.165 0.507 . . . . 0.0 111.581 -179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.1 161.81 33.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.27 -0.877 . . . . 0.0 108.744 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.94 111.2 16.78 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.768 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.8 mp -112.55 121.51 65.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -136.55 136.2 39.11 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.942 0.401 . . . . 0.0 110.777 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 55.59 55.92 6.75 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.304 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.38 5.54 0.78 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.505 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 55' ' ' ALA . 52.7 tttm -121.42 135.56 55.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 117.069 0.435 . . . . 0.0 110.911 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -77.99 127.0 31.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.058 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.7 mt -83.38 146.57 28.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.712 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -101.03 148.1 25.43 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.458 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.15 -30.62 11.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.63 -5.76 69.5 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.22 155.68 28.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.8 0.333 . . . . 0.0 110.728 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -114.06 176.44 5.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.713 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mt -85.01 -39.53 17.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.689 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.583 ' H ' ' HA ' ' A' ' 29' ' ' SER . 46.0 t -69.53 -9.82 55.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.001 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.99 -61.91 1.87 Allowed 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -93.09 2.13 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.394 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 78.23 52.09 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.168 0.509 . . . . 0.0 110.273 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.4 mt -82.65 122.6 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -102.98 -125.98 0.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.442 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -102.06 -41.41 6.44 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.818 0.342 . . . . 0.0 110.731 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -82.43 36.54 0.48 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.6 p -95.52 125.96 40.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.364 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.8 m -88.29 93.81 9.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 0.0 110.265 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 mp -84.79 155.8 21.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.683 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -121.28 111.02 16.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.613 179.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 tp -99.91 130.24 46.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.289 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.8 t -104.64 126.86 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.292 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.9 mt -99.23 114.3 27.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.66 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 . . . . . 0 C--O 1.232 0.133 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.643 179.937 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.45 ' N ' ' HZ3' ' A' ' 99' ' ' LYS . . . . . . . . 0 C--O 1.232 0.174 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.418 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 10.6 m-20 -147.96 43.52 1.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.597 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 73.11 -57.68 0.63 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.802 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -91.45 -58.01 2.58 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.393 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 97' ' ' ILE . 2.8 mm-40 -50.57 -50.22 54.2 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.521 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 0.8 OUTLIER -35.12 -22.66 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.042 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.56 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.9 mt -84.75 -53.86 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.015 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 7.6 ptm180 -60.89 -41.7 96.55 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.619 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.45 ' HZ3' ' N ' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -76.4 -26.59 55.74 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.063 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.481 ' HA ' HD21 ' A' ' 103' ' ' LEU . . . -70.41 -25.24 63.13 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.498 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 31.0 mt -83.59 -30.82 8.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.996 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.71 -12.42 31.45 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.567 ' CD1' ' H ' ' A' ' 104' ' ' SER . 2.9 pp -96.28 -69.93 0.74 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 119.161 -1.015 . . . . 0.0 113.249 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.567 ' H ' ' CD1' ' A' ' 103' ' ' LEU . 32.0 t -99.99 -10.61 21.42 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 3.6 mm? . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.433 ' C ' ' H ' ' A' ' 3' ' ' HIS . 2.8 ptt? . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -78.9 23.98 0.32 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.762 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.433 ' H ' ' C ' ' A' ' 1' ' ' MET . 0.3 OUTLIER 63.03 175.92 0.15 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -104.47 -2.4 25.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.657 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.449 ' C ' ' HD1' ' A' ' 5' ' ' HIS . 0.3 OUTLIER -71.97 176.66 4.85 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.64 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -144.34 131.56 20.67 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.697 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -157.6 60.82 0.48 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.383 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.39 69.09 3.21 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -16.52 40.06 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -115.4 121.52 43.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.072 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.455 ' H ' ' NH2' ' A' ' 72' ' ' ARG . 3.2 mp0 -105.33 176.42 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.163 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.6 pt -142.95 169.03 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.143 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -123.56 132.16 53.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.042 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.37 137.8 54.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.828 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.43 116.55 22.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.3 p -63.26 167.4 5.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.036 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 3.4 tm? -57.11 -42.27 80.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.02 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.2 p -64.81 -16.88 63.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.399 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.46 21.39 11.56 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 121.237 -0.506 . . . . 0.0 111.968 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -81.6 124.24 29.37 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 m -86.14 126.94 34.59 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.853 0.359 . . . . 0.0 110.958 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.2 mt -133.33 129.04 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.62 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.7 m -107.7 126.74 52.97 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.431 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.75 140.65 49.3 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 25' ' ' GLU . 5.9 mp0 -83.24 107.99 16.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.527 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.14 -172.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.404 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' H ' ' HB2' ' A' ' 30' ' ' ASP . 3.9 mm-40 -107.15 158.41 17.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.694 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.0 p -60.77 -21.44 63.04 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.705 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.56 ' HA ' ' H ' ' A' ' 66' ' ' SER . 58.7 p -116.35 4.76 13.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.468 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.458 ' HB2' ' H ' ' A' ' 27' ' ' GLU . 6.9 t70 -40.09 148.77 0.07 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.694 0.283 . . . . 0.0 110.973 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.1 p -99.25 163.25 12.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.383 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.9 mm -52.26 -54.36 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.311 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.86 -43.52 18.71 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.809 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -69.18 -40.41 78.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.302 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.12 -47.71 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.788 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -59.66 -64.79 0.82 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.724 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -46.22 -47.5 17.9 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.929 0.395 . . . . 0.0 110.376 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -50.14 -35.83 27.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.77 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -67.48 -40.17 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.135 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.31 -32.59 64.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.696 0.284 . . . . 0.0 110.65 -179.484 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 15.8 t70 -72.79 -20.99 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.69 -46.47 7.56 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.318 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 45' ' ' ILE . 53.9 mt-10 -118.78 6.11 11.51 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.25 -39.45 1.87 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.431 HG23 HD11 ' A' ' 45' ' ' ILE . 7.1 mm -39.58 125.19 1.46 Allowed Pre-proline 0 N--CA 1.464 0.244 0 CA-C-O 120.501 0.191 . . . . 0.0 111.229 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -70.04 142.81 47.68 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 122.409 2.073 . . . . 0.0 112.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -52.94 -40.37 76.07 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.641 2.228 . . . . 0.0 112.316 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.68 -22.25 66.35 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.786 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -97.42 -12.3 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.632 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.509 HE22 ' CD2' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -99.1 135.21 40.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.47 -179.433 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.426 ' HB2' ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -117.49 150.42 38.95 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.098 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.25 117.95 26.48 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.328 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -116.83 126.66 74.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -145.71 139.92 26.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.954 0.407 . . . . 0.0 110.867 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.465 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 58.01 53.11 7.05 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.288 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.26 2.45 0.42 Allowed Glycine 0 CA--C 1.531 1.072 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.693 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 55' ' ' ALA . 15.4 ttmt -121.64 144.33 48.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 117.178 0.489 . . . . 0.0 111.177 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -79.35 120.74 24.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.638 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 mt -71.07 125.91 28.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.924 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.4 138.86 34.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.942 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -44.68 -24.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.06 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.12 4.97 85.39 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 121.285 -0.483 . . . . 0.0 112.03 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -82.09 153.42 26.1 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.3 p -116.89 168.21 10.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.641 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.3 mt -75.94 -42.13 49.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.152 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.56 ' H ' ' HA ' ' A' ' 29' ' ' SER . 41.5 p -73.1 -9.94 59.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.202 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.25 -61.91 1.97 Allowed 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -87.35 3.47 46.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.49 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 t30 73.82 27.88 1.64 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.12 0.486 . . . . 0.0 109.76 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.9 mt -56.28 112.81 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.525 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.593 HE21 ' H ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -70.71 -150.29 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.274 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.455 ' NH2' ' H ' ' A' ' 11' ' ' GLN . 7.1 ptm85 -99.83 -39.04 8.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.732 0.301 . . . . 0.0 110.385 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.593 ' H ' HE21 ' A' ' 71' ' ' GLN . 46.3 mt-10 -81.95 55.03 2.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.258 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.9 p -114.95 148.03 39.26 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.6 m -99.23 98.04 9.06 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.024 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mp -78.51 96.75 5.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.575 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.43 109.84 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.027 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.509 ' CD2' HE22 ' A' ' 50' ' ' GLN . 5.9 tt -105.6 143.08 34.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.226 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.14 119.5 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.957 0.408 . . . . 0.0 110.401 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.411 ' CD2' HG22 ' A' ' 45' ' ' ILE . 10.9 mt -75.39 117.99 17.8 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.749 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.426 ' NE ' ' HB2' ' A' ' 51' ' ' ARG . 6.0 mtt85 -73.93 171.46 13.4 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.4 tp -147.79 105.27 3.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.091 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.02 -27.82 18.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.688 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.12 -160.54 4.82 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.46 125.36 37.81 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.87 128.17 15.27 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.931 0.396 . . . . 0.0 110.707 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 10.4 ttm -64.64 -25.02 67.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.546 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.81 43.31 96.35 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.65 -155.56 8.31 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.29 -55.46 15.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.733 0.301 . . . . 0.0 110.602 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -109.49 133.28 53.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.53 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.401 ' HB2' ' CD ' ' A' ' 95' ' ' GLU . 1.7 m-20 -134.99 -78.79 0.44 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.298 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.79 -43.91 0.18 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -105.41 -41.66 5.45 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.626 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.401 ' CD ' ' HB2' ' A' ' 92' ' ' ASP . 0.6 OUTLIER -66.74 -11.59 55.25 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.181 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 pp -78.65 -10.3 59.7 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.895 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.7 mt -90.49 -55.96 5.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.495 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -59.57 -33.84 71.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.6 -36.22 33.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.988 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.472 ' HA ' HD21 ' A' ' 103' ' ' LEU . . . -65.95 -19.62 65.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.069 0.461 . . . . 0.0 109.825 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.458 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 74.1 mt -94.11 -28.55 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.29 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -93.02 -11.93 31.88 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -178.075 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.538 ' CD1' ' H ' ' A' ' 104' ' ' SER . 2.6 pp -96.1 -70.22 0.72 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.363 -0.935 . . . . 0.0 112.849 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.538 ' H ' ' CD1' ' A' ' 103' ' ' LEU . 18.6 m -98.65 -12.09 21.41 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.458 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -94.27 -36.26 12.07 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.721 -0.391 . . . . 0.0 111.924 -178.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -43.13 -26.17 0.15 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -179.017 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -53.32 -40.24 64.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.97 0.414 . . . . 0.0 109.984 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.8 p -67.8 -31.8 71.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.174 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.5 tmm_? -76.92 -27.67 54.99 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.308 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -65.41 -25.95 67.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 p -62.33 -22.2 65.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.603 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.5 -0.23 37.77 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.05 -15.08 48.9 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.965 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -139.23 -7.2 1.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.361 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 54.9 45.39 26.63 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.364 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 69.91 100.88 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.487 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -148.74 0.11 0.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.216 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -79.36 -174.57 4.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.647 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.36 164.62 11.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.74 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 157.5 127.41 0.96 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.48 173.08 6.5 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.686 0.279 . . . . 0.0 110.393 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.64 122.32 36.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.129 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -113.18 114.23 26.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.408 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.7 pt -73.0 173.65 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.166 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -126.3 140.03 52.84 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.952 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.3 150.76 50.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.4 ttpp -131.58 120.86 23.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.568 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -69.66 173.28 6.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.753 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.415 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 3.4 tm? -58.7 -47.08 85.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.206 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -62.24 -21.73 65.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.59 42.12 2.39 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.006 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -94.26 124.96 38.6 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.112 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -87.21 116.57 25.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.4 mt -132.65 136.08 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.467 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 m -106.39 137.5 44.25 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.527 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -127.07 131.59 50.86 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.016 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.06 94.09 6.52 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.169 0.509 . . . . 0.0 110.052 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.29 -169.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.062 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -111.02 154.12 24.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.256 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.4 p -57.19 -23.04 44.97 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.153 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.561 ' HA ' ' H ' ' A' ' 66' ' ' SER . 82.9 p -116.41 4.35 13.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.885 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.1 158.58 0.09 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.68 0.276 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -91.41 149.06 21.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.369 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.3 mm -53.12 -47.55 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.471 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.61 -43.8 46.74 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.562 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -66.05 -39.62 90.27 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.927 0.394 . . . . 0.0 109.938 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.48 -43.65 83.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 47' ' ' PRO . 21.8 mtpt -61.81 -59.6 4.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.138 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.402 ' N ' ' HB3' ' A' ' 47' ' ' PRO . 12.1 t -49.7 -50.64 43.09 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.011 0.434 . . . . 0.0 110.22 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -49.02 -34.27 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.731 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.506 HG21 HD12 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -68.27 -40.22 82.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.92 178.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.3 pp0? -56.26 -28.89 60.16 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.799 0.333 . . . . 0.0 110.209 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 27.0 t70 -71.75 -23.6 61.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -92.1 -42.63 9.83 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.092 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 45' ' ' ILE . 36.8 mt-10 -120.28 7.19 10.7 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.07 -39.13 1.15 Allowed Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.466 ' H ' ' C ' ' A' ' 43' ' ' GLU . 16.8 mm -37.13 128.89 0.78 Allowed Pre-proline 0 N--CA 1.464 0.239 0 C-N-CA 122.236 0.214 . . . . 0.0 111.213 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -65.97 137.65 49.54 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 C-N-CA 122.159 1.906 . . . . 0.0 111.649 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 2.6 Cg_endo -48.73 -42.89 35.88 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 122.878 2.385 . . . . 0.0 112.609 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.51 -28.79 69.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.976 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -73.82 -13.94 61.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.306 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.21 149.83 27.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.057 0.456 . . . . 0.0 111.596 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.463 HH22 HE22 ' A' ' 58' ' ' GLN . 4.1 mmp_? -127.57 147.77 50.34 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.04 113.43 25.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.862 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.0 mp -114.87 122.35 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.967 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -132.44 132.34 42.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.914 0.388 . . . . 0.0 110.735 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.45 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 53.79 61.23 3.19 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.598 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.33 3.43 0.37 Allowed Glycine 0 CA--C 1.53 1.015 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.934 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' A' ' 55' ' ' ALA . 25.6 mttm -118.49 142.15 47.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 117.228 0.514 . . . . 0.0 110.984 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.463 HE22 HH22 ' A' ' 51' ' ' ARG . 0.0 OUTLIER -86.4 125.85 33.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.365 179.721 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mt -83.03 144.64 29.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.675 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.0 140.71 29.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.561 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -55.47 -24.03 28.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.205 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.79 -9.6 86.8 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -74.74 164.44 26.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.39 . . . . 0.0 111.189 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.452 ' HG1' ' CB ' ' A' ' 67' ' ' ASP . 11.0 p -116.76 169.41 9.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.161 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 mt -75.43 -42.02 54.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.826 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.561 ' H ' ' HA ' ' A' ' 29' ' ' SER . 55.5 p -77.67 -10.64 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.452 ' CB ' ' HG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -64.95 -60.17 3.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.423 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.83 1.0 48.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.5 t30 67.2 35.15 4.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.304 0.573 . . . . 0.0 109.9 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.3 mt -57.32 -22.39 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.942 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 53.49 -156.95 0.18 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.797 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 11.0 ptt85 -101.95 -52.05 3.26 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.154 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 3.2 pt-20 -75.59 63.21 1.51 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.129 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t -131.64 151.9 51.25 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.5 m -99.17 103.14 15.01 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.841 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.9 mp -84.42 96.2 9.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.65 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.2 117.23 10.57 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.204 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 tt -115.01 151.97 33.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.287 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 51' ' ' ARG . 30.4 m -130.18 127.43 63.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.938 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -85.12 127.86 34.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.196 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -73.35 -172.31 1.13 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.756 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.13 88.31 1.11 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.149 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -12.6 4.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.072 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 87.71 61.67 1.51 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 178.17 -105.34 0.2 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.0 m -87.67 89.59 8.05 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.793 0.33 . . . . 0.0 110.241 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.428 ' HG3' ' H ' ' A' ' 89' ' ' GLY . 9.1 ptt? -75.97 -22.36 56.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.694 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.09 -14.65 19.93 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.428 ' H ' ' HG3' ' A' ' 87' ' ' MET . . . 84.12 -28.59 4.11 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.45 -70.76 0.53 Allowed 'General case' 0 C--O 1.232 0.173 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.11 91.08 7.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.027 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -88.23 -86.43 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.003 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -140.63 -40.12 0.42 Allowed 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.385 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -111.99 -43.09 3.63 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.848 0.356 . . . . 0.0 110.803 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -63.73 -9.85 16.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.9 OUTLIER -73.7 -10.49 59.74 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.494 ' N ' HD22 ' A' ' 96' ' ' LEU . 3.8 mt -95.87 -51.18 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -66.18 -33.52 75.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.121 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 0.4 OUTLIER -75.38 -38.73 59.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.474 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.414 ' N ' ' CG ' ' A' ' 99' ' ' LYS . . . -72.92 -29.06 62.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.983 0.421 . . . . 0.0 110.118 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.443 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 5.7 mt -70.0 -39.88 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.381 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -93.19 -10.8 34.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.058 -0.973 . . . . 0.0 112.139 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 13.1 mt -89.4 -74.44 0.48 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.275 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.3 m -100.27 -10.38 21.37 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 1.2 mm? -86.83 -33.47 19.84 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.198 -178.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -93.81 -36.13 12.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.566 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.487 ' N ' ' HG3' ' A' ' 106' ' ' LYS . 6.5 tt0 -63.94 -34.66 78.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.9 m -57.05 -42.55 80.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -62.09 -41.67 98.43 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.645 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -65.98 -38.87 89.64 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.353 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.1 m -65.57 -41.69 92.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.463 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -91.42 7.24 80.4 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.45 -43.78 96.21 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.451 179.824 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.473 ' HD1' ' H ' ' A' ' 4' ' ' HIS . 1.3 t-80 -159.93 173.29 16.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -126.45 -1.34 6.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.351 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.473 ' H ' ' HD1' ' A' ' 2' ' ' HIS . 0.2 OUTLIER 66.72 -82.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.862 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 66.5 157.46 0.11 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.776 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -149.71 -46.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.173 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.18 3.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.604 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.63 -169.41 28.66 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -140.69 -13.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.576 0.227 . . . . 0.0 110.785 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -112.33 119.76 39.38 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -126.99 118.96 25.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.785 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.4 pt -79.75 -177.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.074 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -126.03 136.22 52.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.246 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.05 137.48 53.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.955 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -127.55 115.53 18.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.8 p -68.14 167.5 14.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.174 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.4 tp -66.36 -16.95 64.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.293 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -85.48 -19.94 30.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.378 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.66 44.55 1.94 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.99 -0.444 . . . . 0.0 111.99 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -105.13 115.37 30.16 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -82.94 123.4 29.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.4 mt -131.68 128.31 60.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -102.83 127.39 50.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.22 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.43 136.47 46.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.989 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.96 97.71 5.42 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.189 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.2 m -131.13 -172.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.406 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -106.28 156.93 17.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.062 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -66.2 -12.63 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.553 ' HA ' ' H ' ' A' ' 66' ' ' SER . 91.2 p -121.67 -0.14 9.74 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.02 124.65 10.46 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.431 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 17.9 p -53.91 157.42 2.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.668 0.271 . . . . 0.0 110.766 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.1 mm -54.58 -42.23 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.37 -47.84 37.04 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.769 0.318 . . . . 0.0 110.253 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.37 -37.02 86.03 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.781 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.3 -48.93 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.454 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -62.15 -61.64 2.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.216 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.445 ' N ' ' HB3' ' A' ' 47' ' ' PRO . 21.7 t -48.45 -51.38 27.22 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.85 0.357 . . . . 0.0 110.258 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -48.96 -33.88 11.83 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.458 HG21 HD12 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -67.9 -42.41 85.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 179.283 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -58.83 -27.27 64.95 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.621 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.459 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 2.7 t70 -71.33 -27.24 63.24 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -92.32 -38.66 11.92 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.042 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 45' ' ' ILE . 35.2 mt-10 -116.61 5.27 13.24 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 71.6 -44.05 0.77 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.09 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.441 ' HB ' HE22 ' A' ' 50' ' ' GLN . 93.2 mt -44.31 128.44 4.67 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 120.674 0.273 . . . . 0.0 111.473 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -52.05 139.0 52.8 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.095 2.53 . . . . 0.0 112.746 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.445 ' HB3' ' N ' ' A' ' 37' ' ' SER . 2.4 Cg_endo -54.05 -33.01 71.64 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.845 2.363 . . . . 0.0 112.368 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -70.77 -11.32 60.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.526 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -92.69 -12.44 31.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.953 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.441 HE22 ' HB ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.6 154.69 24.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.18 0.514 . . . . 0.0 111.326 -179.506 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.61 157.38 43.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.138 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.05 110.81 20.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.162 -0.311 . . . . 0.0 110.162 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.01 120.0 61.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -141.08 140.09 34.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.973 0.416 . . . . 0.0 110.765 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.511 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 54.46 54.08 9.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.286 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.41 2.09 0.39 Allowed Glycine 0 CA--C 1.529 0.956 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.695 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 55' ' ' ALA . 3.5 mmmm -115.09 137.39 52.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.275 0.538 . . . . 0.0 111.254 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -82.16 125.58 31.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.944 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.5 mt -92.27 155.77 17.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.384 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -133.09 171.27 14.22 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.951 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -52.55 -35.8 54.35 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.813 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.96 -21.33 69.55 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -85.38 152.87 22.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.743 0.306 . . . . 0.0 110.307 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 31' ' ' THR . 38.6 p -118.07 161.87 19.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.82 -40.82 96.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.962 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.553 ' H ' ' HA ' ' A' ' 29' ' ' SER . 42.5 t -67.1 -9.61 41.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.084 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.8 -44.98 90.91 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.079 0.466 . . . . 0.0 109.936 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.53 -3.97 26.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 75.08 63.76 0.06 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.278 0.561 . . . . 0.0 109.935 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.2 mm -93.58 138.02 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.698 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -121.81 177.62 5.2 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.753 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -58.47 -50.87 72.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.576 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.08 45.41 0.63 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.693 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.2 p -121.68 153.31 38.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.78 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.5 m -111.62 108.66 18.22 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.368 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.04 137.88 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.487 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -95.5 109.55 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.5 tt -100.38 142.36 31.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.81 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.492 HG13 ' CD1' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -107.58 145.07 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.839 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.62 105.61 10.59 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.638 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 -65.03 175.29 1.61 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.809 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.66 109.67 19.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.711 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -74.15 -28.53 61.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.322 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.87 90.53 0.21 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 170.5 108.32 0.21 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.1 p 47.71 44.02 17.22 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 110.804 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -28.38 67.9 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.935 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.99 114.15 3.85 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 168.84 -161.85 35.58 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.4 -46.03 29.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.886 0.374 . . . . 0.0 110.35 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -106.16 98.4 8.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.63 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.19 -103.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.951 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -126.23 -36.0 2.36 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.109 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -112.42 -44.57 3.35 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.351 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -62.33 -9.65 8.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.846 0.355 . . . . 0.0 110.684 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.581 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -76.38 -10.35 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.871 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.581 ' N ' HD22 ' A' ' 96' ' ' LEU . 1.5 mt -95.83 -52.11 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.506 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -60.91 -34.97 75.48 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.475 ' O ' ' CD2' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -80.07 -29.65 39.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.61 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.46 ' HA ' HD23 ' A' ' 103' ' ' LEU . . . -68.83 -26.63 65.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.503 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 48.4 mt -84.82 -30.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.351 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -92.83 -12.02 32.18 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.628 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.505 ' CD1' ' H ' ' A' ' 104' ' ' SER . 2.6 pp -97.12 -69.66 0.75 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.129 -1.028 . . . . 0.0 113.267 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.505 ' H ' ' CD1' ' A' ' 103' ' ' LEU . 99.8 p -99.59 -10.35 22.14 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.511 HD12 ' H ' ' A' ' 55' ' ' ALA . 3.6 mm? -93.15 -39.99 10.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 1.2 pptp? -55.88 -24.77 39.09 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.454 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.414 ' N ' ' HD2' ' A' ' 106' ' ' LYS . 6.6 pt-20 -91.58 -24.8 19.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.13 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.5 t -74.67 -6.54 49.27 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.732 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.8 mtm-85 -52.85 -26.25 14.09 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -57.43 -40.03 77.49 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.468 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 t -68.0 -25.89 65.63 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.576 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -68.75 -8.5 57.21 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -77.49 -16.71 80.02 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.223 -0.33 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.691 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -61.47 -36.98 81.97 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.518 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -68.95 92.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.365 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -81.67 93.38 6.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.778 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -100.09 125.1 46.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.27 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.58 172.56 17.64 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -163.3 13.31 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.611 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -109.62 101.37 1.45 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -165.82 150.28 8.31 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -127.09 123.41 36.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.225 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -118.51 119.4 34.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.418 HD12 HG22 ' A' ' 12' ' ' ILE . 36.8 pt -82.04 -174.77 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -125.2 134.77 52.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.569 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.29 129.59 55.55 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -122.42 119.39 30.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 111.237 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 p -73.86 158.62 34.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.198 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' A' ' 96' ' ' LEU . 15.6 tp -62.34 -17.68 59.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.432 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.3 p -79.54 -18.89 50.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.503 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.58 33.48 4.76 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.35 120.27 41.17 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -87.94 132.35 34.26 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.508 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.6 mt -132.57 124.68 51.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.546 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.9 m -104.49 123.57 47.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.303 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.48 140.1 48.24 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -76.65 108.28 9.54 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.482 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.13 141.77 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.73 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.15 161.55 26.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.059 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 t -61.96 -23.04 66.14 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.258 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.568 ' HA ' ' H ' ' A' ' 66' ' ' SER . 90.9 p -115.64 4.23 14.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -178.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.19 158.76 0.23 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.752 0.31 . . . . 0.0 110.724 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.2 p -100.51 165.14 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.395 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.512 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 42.7 mm -52.85 -48.97 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.065 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -43.5 -44.7 6.12 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -65.4 -37.07 85.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.037 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' ILE . 61.8 t -64.14 -49.75 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.914 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -59.74 -62.54 1.8 Allowed 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.063 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.413 ' HG ' ' N ' ' A' ' 38' ' ' LYS . 58.5 p -46.25 -48.48 17.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.909 0.385 . . . . 0.0 110.319 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' N ' ' HG ' ' A' ' 37' ' ' SER . 40.1 mmtt -53.54 -31.16 45.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.302 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 40' ' ' GLN . 0.4 OUTLIER -68.31 -47.71 76.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.744 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.482 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 2.3 pt20 -63.91 -21.61 66.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.794 0.331 . . . . 0.0 110.95 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -77.39 -36.57 53.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.077 0.465 . . . . 0.0 109.787 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -90.28 -37.49 14.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.394 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' A' ' 45' ' ' ILE . 8.3 mp0 -118.41 6.65 11.82 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 70.69 -44.67 0.64 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.81 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.433 ' H ' ' C ' ' A' ' 43' ' ' GLU . 79.4 mt -38.77 123.89 1.19 Allowed Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 2.6 Cg_endo -48.0 140.67 18.45 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.994 2.463 . . . . 0.0 112.403 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.62 -39.35 35.73 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.551 2.167 . . . . 0.0 112.138 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.67 -44.18 91.19 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.723 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.69 -10.17 1.49 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.684 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -113.41 156.23 23.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -140.63 168.53 19.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.73 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -121.52 109.13 14.44 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -112.8 124.65 69.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -156.21 136.24 12.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.032 0.444 . . . . 0.0 110.74 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 71.24 41.45 0.77 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.982 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.538 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 62.49 2.21 4.13 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.547 178.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -125.76 138.68 53.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.054 0.454 . . . . 0.0 110.795 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -73.96 126.72 31.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.459 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.3 mt -76.84 139.03 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.746 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -94.37 142.41 27.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.177 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.512 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -49.95 -22.93 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.56 -179.22 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.4 -0.62 67.44 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 149.01 34.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.796 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -113.33 170.95 7.86 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.18 -36.56 22.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.754 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.568 ' H ' ' HA ' ' A' ' 29' ' ' SER . 14.2 p -73.21 -9.6 58.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.696 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.66 -61.57 2.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.02 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -96.8 0.44 49.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.641 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 73.01 36.4 0.87 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.123 0.487 . . . . 0.0 110.006 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.3 mt -54.05 119.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -94.09 152.27 18.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -46.95 -40.07 13.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -78.27 50.34 0.91 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.5 t -127.9 151.02 49.6 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.4 m -107.86 105.98 16.04 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.82 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.06 123.41 33.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.293 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -76.96 105.74 8.22 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 tt -99.52 132.86 44.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.139 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 t -97.6 143.01 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.883 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.15 97.63 5.42 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.467 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.484 HH11 HH22 ' A' ' 83' ' ' ARG . 12.5 ptt180 -78.92 171.52 15.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.53 143.78 26.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.987 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.484 HH22 HH11 ' A' ' 81' ' ' ARG . 4.1 mmt-85 -116.01 -27.56 6.91 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.08 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.05 -82.9 0.05 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.28 171.23 30.77 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.0 t 67.6 102.69 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.857 0.36 . . . . 0.0 110.814 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 ttp -98.83 -48.76 4.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.554 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.7 -107.03 3.35 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.15 -97.68 0.11 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.68 -48.65 77.16 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.74 127.37 42.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.167 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -135.22 -61.47 0.74 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.674 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.419 ' O ' ' CD1' ' A' ' 96' ' ' LEU . 4.3 tm-20 -160.43 -62.62 0.06 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.341 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.26 -45.47 10.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.47 ' HG2' ' H ' ' A' ' 96' ' ' LEU . 2.1 pm0 -53.27 -58.83 5.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.756 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 2.1 pp -39.27 -29.5 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' A' ' 96' ' ' LEU . 1.6 mt -84.68 -62.94 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.336 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -56.08 -32.61 64.3 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -66.54 -71.34 0.2 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -38.79 -29.58 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.885 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.453 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 81.5 mt -76.74 -40.56 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 120.955 0.407 . . . . 0.0 110.862 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.3 mp0 -85.67 -21.15 28.5 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.458 ' CG ' ' H ' ' A' ' 104' ' ' SER . 1.0 OUTLIER -97.19 -68.36 0.8 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -178.39 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.458 ' H ' ' CG ' ' A' ' 103' ' ' LEU . 15.6 m -84.73 -11.66 55.36 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.538 ' HG ' ' H ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER -88.63 -39.7 13.87 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.079 -179.348 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -74.62 -12.44 60.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.124 0.487 . . . . 0.0 109.961 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -90.94 -20.81 21.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.097 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.7 t -94.2 -33.81 13.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.368 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -71.27 -6.87 43.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.649 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.434 ' N ' HD21 ' A' ' 110' ' ' ASN . 0.1 OUTLIER -60.59 -27.76 67.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.713 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.4 t -71.11 -12.42 61.49 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.672 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.31 -22.93 57.09 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.45 -37.43 81.96 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.489 179.697 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpp . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -59.91 -48.92 79.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.609 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -112.51 -40.68 4.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.515 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -74.56 126.45 30.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.771 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.405 ' CG ' ' H ' ' A' ' 6' ' ' HIS . 0.4 OUTLIER -79.03 -124.11 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.246 179.769 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.405 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 2.7 t60 65.63 104.69 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.912 0.387 . . . . 0.0 111.033 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -159.45 105.84 1.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.21 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.91 54.02 0.03 OUTLIER Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -136.67 44.35 2.37 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.99 121.63 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.911 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.11 113.51 20.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.589 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.6 pt -74.51 178.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.244 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -129.53 134.91 48.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.932 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -120.77 141.72 50.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.22 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -132.11 120.07 21.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.998 0.428 . . . . 0.0 110.961 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 37.4 p -80.23 175.91 10.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.762 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.43 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 2.7 tm? -54.82 -48.78 72.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.331 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -59.08 -21.05 58.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.047 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.35 38.25 4.84 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 9.6 tmtt? -91.83 120.28 32.39 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -86.02 125.17 33.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.816 0.341 . . . . 0.0 110.67 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.3 mt -132.64 128.94 58.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.544 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.401 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 44.7 m -105.66 129.15 53.95 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.76 138.83 47.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.13 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.9 113.67 12.47 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.188 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.2 m -146.85 -169.27 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 121.093 0.473 . . . . 0.0 111.405 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -115.27 164.31 14.43 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.188 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -17.85 64.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.804 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.519 ' HA ' ' H ' ' A' ' 66' ' ' SER . 4.0 m -116.26 4.86 13.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.0 153.1 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.642 0.258 . . . . 0.0 110.407 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.425 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 37.1 p -94.78 156.86 16.19 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.589 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 33.5 mm -54.49 -52.79 36.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.256 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -48.45 -41.33 29.2 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.836 0.351 . . . . 0.0 110.219 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.425 ' H ' ' HG1' ' A' ' 31' ' ' THR . 20.5 t-20 -71.42 -40.36 70.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.493 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.9 t -59.4 -46.28 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.355 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.46 -62.35 1.81 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.192 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.6 p -47.08 -50.83 19.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.936 0.398 . . . . 0.0 110.237 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -51.29 -34.03 31.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.137 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.496 HG22 HD11 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -72.63 -42.27 62.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.4 -27.05 55.18 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.592 -179.652 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.501 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 25.4 t70 -70.41 -25.52 63.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.401 ' NZ ' ' O ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -92.81 -40.15 10.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.216 -179.162 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -114.55 3.63 14.93 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 73.8 -42.99 1.13 Allowed Glycine 0 CA--C 1.53 0.969 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.167 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.408 ' HB ' ' NE2' ' A' ' 50' ' ' GLN . 14.6 mt -42.22 120.18 2.36 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-O 120.589 0.233 . . . . 0.0 111.335 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.01 139.09 42.57 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.995 2.463 . . . . 0.0 112.649 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -49.21 -46.76 24.56 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 123.153 2.568 . . . . 0.0 112.569 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.48 -43.68 98.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.677 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -59.95 -13.45 11.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.471 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.411 HE22 ' CG2' ' A' ' 39' ' ' ILE . 60.5 mt-30 -114.4 158.83 21.0 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.12 0.486 . . . . 0.0 111.28 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -147.89 163.24 37.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.994 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.0 mp -121.33 128.31 52.15 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.671 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.3 mp -116.29 123.61 71.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -148.72 135.65 19.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.048 0.452 . . . . 0.0 111.147 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 66.65 46.91 1.68 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.778 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.526 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 60.67 2.82 2.67 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.448 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -129.29 132.96 47.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.014 0.407 . . . . 0.0 110.94 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.75 122.51 16.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.458 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.82 125.07 25.09 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.738 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.66 128.92 36.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.814 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -51.1 -18.94 0.95 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.24 -178.698 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.41 -3.58 86.66 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.443 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' CZ ' ' HH ' ' A' ' 68' ' ' TYR . 5.9 mtt180 -84.35 170.0 14.06 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.025 0.441 . . . . 0.0 111.056 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.7 p -118.32 178.91 4.27 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 mt -80.1 -38.07 32.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.966 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.519 ' H ' ' HA ' ' A' ' 29' ' ' SER . 36.0 t -65.04 -9.14 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.19 -28.1 24.97 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.966 0.413 . . . . 0.0 110.211 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.42 ' HH ' ' CZ ' ' A' ' 63' ' ' ARG . 10.7 m-85 -125.74 -3.58 7.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.335 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t30 77.58 38.66 0.2 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.421 0.629 . . . . 0.0 109.643 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.2 mt -66.56 115.7 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.44 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -84.35 -135.09 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.462 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.37 -39.82 7.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.232 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -84.19 44.83 1.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.219 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 94.9 p -102.7 140.09 37.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.998 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.4 m -101.61 97.06 7.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.867 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mp -82.0 156.94 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.799 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -117.46 109.44 16.76 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.562 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 16' ' ' THR . 4.4 tt -107.99 139.23 42.92 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 96' ' ' LEU . 2.1 t -106.94 126.22 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.187 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.2 mt -97.82 102.34 14.07 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.646 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.4 ptt85 -66.79 144.49 56.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.387 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tp -81.23 106.78 13.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.385 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -27.88 69.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.726 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.91 -166.42 42.51 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.31 -87.81 0.05 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.8 t -148.45 126.21 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.666 0.269 . . . . 0.0 110.345 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.6 ttm -80.36 -18.94 47.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.565 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.73 -11.06 15.39 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -78.83 -137.71 1.34 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.68 -71.18 0.36 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.736 0.303 . . . . 0.0 110.586 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.71 126.78 33.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.377 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -142.73 34.9 1.42 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.64 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.454 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 0.5 OUTLIER 59.17 69.39 0.72 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.664 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.506 ' H ' HD22 ' A' ' 96' ' ' LEU . 23.0 tt0 156.73 -82.48 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.462 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.425 ' N ' ' HG2' ' A' ' 94' ' ' GLU . 7.4 pt-20 -63.25 -10.26 14.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.274 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.506 HD22 ' H ' ' A' ' 94' ' ' GLU . 0.6 OUTLIER -70.71 -11.13 60.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.772 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.8 mt -95.24 -53.81 7.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 120.704 0.288 . . . . 0.0 110.347 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.0 ptt85 -66.79 -39.49 87.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.976 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 10.9 ptmm? -65.43 -30.72 71.55 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.184 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.76 -26.07 49.59 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.723 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.518 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 42.9 mt -78.44 -29.25 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -93.93 -11.22 31.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.295 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -90.24 -73.96 0.51 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -177.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 t -97.82 -11.52 23.21 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.526 ' HG ' ' H ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER -76.49 -37.65 56.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.788 0.328 . . . . 0.0 110.694 -179.611 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -81.36 -36.36 29.73 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.105 0.479 . . . . 0.0 109.982 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -56.1 -41.92 75.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.131 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.8 t -72.4 -28.13 62.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.339 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -74.09 -4.01 32.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.758 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -53.94 -40.29 66.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.618 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -64.19 -34.14 77.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.391 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.74 -28.58 73.76 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.32 -25.1 59.88 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.515 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.3 m80 64.06 172.95 0.18 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.41 -58.69 0.57 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.817 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -134.88 141.21 46.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.873 0.368 . . . . 0.0 110.569 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -147.15 149.26 32.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -147.01 171.88 14.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.13 9.18 1.1 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.486 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.73 126.54 5.86 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -79.99 -155.15 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.787 0.327 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.25 121.7 45.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.969 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' NE2' ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -124.08 113.79 18.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.398 -179.616 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 72' ' ' ARG . 17.7 pt -76.43 175.98 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.837 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.17 131.94 54.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.86 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.32 145.25 48.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.02 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.12 118.22 19.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.477 ' HG1' ' HG1' ' A' ' 18' ' ' THR . 36.7 p -64.63 162.53 15.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.07 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.6 -10.15 49.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.272 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.477 ' HG1' ' HG1' ' A' ' 16' ' ' THR . 71.7 p -88.67 -15.4 35.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.53 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.14 24.55 8.91 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.87 126.5 42.06 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -91.16 127.99 36.81 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.759 0.314 . . . . 0.0 111.046 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.0 mt -133.59 132.46 57.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.546 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -107.2 130.42 54.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.229 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.26 140.14 48.52 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.63 106.32 10.52 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.678 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.42 -172.76 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.093 0.473 . . . . 0.0 111.222 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -113.28 163.73 14.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.024 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 30.3 t -65.0 -18.02 64.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.084 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.576 ' HA ' ' H ' ' A' ' 66' ' ' SER . 83.5 p -119.09 4.51 11.35 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.49 154.01 0.32 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.9 p -98.51 160.92 13.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.628 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 mm -53.19 -50.69 45.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.247 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -45.33 -45.58 12.45 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.788 0.328 . . . . 0.0 110.328 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -65.14 -36.77 85.28 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.648 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.77 -45.9 97.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HG2' HE22 ' A' ' 50' ' ' GLN . 37.2 mttp -59.02 -63.98 1.11 Allowed 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.858 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.0 p -49.56 -50.73 41.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.624 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -48.59 -32.92 8.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.27 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.419 HG22 HD12 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -71.36 -42.06 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.397 179.538 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.413 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -57.32 -27.23 62.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.841 0.353 . . . . 0.0 110.646 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -73.42 -27.72 61.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -91.06 -40.67 11.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.422 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' A' ' 45' ' ' ILE . 34.1 mt-10 -123.13 7.68 9.18 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 74.04 -34.46 0.91 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.521 ' H ' ' C ' ' A' ' 43' ' ' GLU . 36.3 mm -37.5 121.26 0.92 Allowed Pre-proline 0 N--CA 1.464 0.271 0 CA-C-O 120.581 0.229 . . . . 0.0 111.294 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -62.17 134.68 50.37 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.161 1.907 . . . . 0.0 111.664 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -47.95 -34.21 22.04 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 123.002 2.468 . . . . 0.0 112.692 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.29 -41.44 33.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.312 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -63.53 -16.81 61.79 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.074 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.405 HE22 ' HG2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -115.42 159.66 20.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.944 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.35 163.99 29.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.937 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.93 129.09 35.81 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.037 0.446 . . . . 0.0 111.444 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -120.44 134.43 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.666 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -151.89 137.97 18.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.001 0.429 . . . . 0.0 111.192 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 59.17 46.77 12.62 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.709 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.451 ' H ' ' CG ' ' A' ' 105' ' ' LEU . . . 63.29 -5.73 0.6 Allowed Glycine 0 CA--C 1.528 0.864 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.317 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 55' ' ' ALA . 23.9 ttpt -118.78 126.68 52.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.971 0.415 . . . . 0.0 110.631 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.24 127.82 33.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.963 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.82 114.44 4.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.377 . . . . 0.0 110.773 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.6 143.73 28.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -45.14 -38.5 5.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.403 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.38 -1.04 68.72 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.246 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -84.22 147.93 27.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.2 p -115.61 -178.0 3.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.457 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' SER . 7.7 mt -92.35 -38.73 11.87 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.394 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.576 ' H ' ' HA ' ' A' ' 29' ' ' SER . 25.5 t -69.34 -9.69 54.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.513 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' A' ' 68' ' ' TYR . 16.0 p-10 -52.84 -57.3 10.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.371 . . . . 0.0 110.112 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.469 ' H ' ' CG ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -95.6 0.78 53.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.728 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 72.8 35.99 0.97 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.235 0.54 . . . . 0.0 110.146 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.67 119.98 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.5 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -156.27 0.06 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.886 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.505 ' C ' ' H ' ' A' ' 74' ' ' SER . 18.3 ptt85 -98.68 -38.07 9.25 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.31 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -77.85 27.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 110.124 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.505 ' H ' ' C ' ' A' ' 72' ' ' ARG . 5.6 m -89.02 146.17 25.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.796 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 m -102.91 104.24 14.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.221 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mp -82.85 143.28 30.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.476 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -107.56 108.39 19.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.5 tt -104.61 142.33 34.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.286 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.5 m -120.82 145.49 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.8 mt -114.56 139.41 49.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.679 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -78.54 -179.19 6.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.557 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.414 ' HB2' ' C ' ' A' ' 92' ' ' ASP . 0.1 OUTLIER -140.49 89.55 2.29 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.616 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.14 -5.2 55.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.556 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.56 174.41 48.11 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.39 -27.84 21.53 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.1 t -87.05 122.92 31.54 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.766 0.317 . . . . 0.0 110.815 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 69.9 mtm -95.97 3.62 53.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.349 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -50.42 99.47 0.03 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 149.78 146.81 4.4 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -47.77 -71.51 0.07 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.784 0.326 . . . . 0.0 110.542 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.05 150.11 31.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.167 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.414 ' C ' ' HB2' ' A' ' 82' ' ' LEU . 42.5 m-20 -140.79 -121.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.531 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -99.14 -49.72 4.4 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.212 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.467 ' HG3' ' H ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -96.74 -48.24 5.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.214 -179.282 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 97' ' ' ILE . 1.9 mt-10 -48.66 -44.63 37.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.973 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -34.54 -28.44 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -178.259 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.515 ' N ' HD22 ' A' ' 96' ' ' LEU . 2.4 mt -81.96 -59.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.615 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -64.38 -27.88 69.31 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -69.07 -44.45 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.169 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.63 -22.88 60.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.563 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 45.6 mt -78.82 -34.27 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.61 -12.23 29.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.387 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.9 mt -93.81 -73.45 0.57 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.9 p -90.97 -11.36 39.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.451 ' CG ' ' H ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER -84.91 -32.81 22.93 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.361 -179.086 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -86.51 -22.77 26.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.04 0.448 . . . . 0.0 110.234 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.71 -29.42 70.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.717 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.8 t -92.09 -17.88 24.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.543 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.3 -57.16 4.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.815 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -61.14 -41.55 96.95 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.667 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.2 t -71.56 -30.1 65.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.366 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.05 -2.83 89.21 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.41 -26.84 59.93 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.468 179.866 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mtt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -76.79 -88.73 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -114.52 -135.64 0.36 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.175 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -156.08 114.55 3.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.74 0.305 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -29.86 22.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.158 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 55.18 -161.47 0.16 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.565 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.4 ' CD2' ' H ' ' A' ' 8' ' ' GLY . 32.0 p-80 -81.04 -126.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.026 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.4 ' H ' ' CD2' ' A' ' 7' ' ' HIS . . . -61.78 156.05 36.77 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -146.04 159.85 42.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.679 0.276 . . . . 0.0 110.419 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.3 120.22 40.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.035 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -125.3 113.68 17.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.458 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 pt -74.15 179.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.271 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -127.22 136.5 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.288 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.79 143.43 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.254 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.63 117.78 25.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.748 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.1 p -67.11 168.41 10.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.181 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.0 tp -66.25 -15.79 63.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.236 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.9 p -85.15 -20.53 30.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.492 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.59 40.44 3.17 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -104.43 127.35 52.1 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.64 122.54 30.7 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.816 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.0 mt -132.92 132.47 59.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.417 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.3 m -100.58 132.24 46.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.132 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 mt -123.96 127.29 47.72 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.051 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -76.14 97.21 4.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.172 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.8 m -132.37 -170.14 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.164 0.507 . . . . 0.0 111.695 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -107.23 156.64 18.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.71 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.7 p -64.19 -15.72 60.47 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.055 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.592 ' HA ' ' H ' ' A' ' 66' ' ' SER . 14.3 t -121.59 3.53 10.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.352 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.02 164.14 0.05 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.731 0.3 . . . . 0.0 110.792 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.2 p -96.91 161.24 13.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.429 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.448 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 29.3 mm -52.05 -46.56 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.57 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -47.6 -40.04 18.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -68.92 -43.14 75.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.679 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.431 HG21 ' N ' ' A' ' 36' ' ' LYS . 0.7 OUTLIER -65.4 -39.72 86.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.56 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' HA ' ' NE2' ' A' ' 50' ' ' GLN . 13.2 mttp -65.78 -63.63 1.04 Allowed 'General case' 0 N--CA 1.458 -0.046 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.071 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 98.9 p -46.77 -48.75 20.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.969 0.414 . . . . 0.0 110.051 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -52.71 -35.51 55.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.044 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.464 HG23 HD11 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -67.14 -47.29 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.721 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.492 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -58.27 -25.87 62.29 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.035 -179.261 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.492 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 21.7 t70 -74.39 -26.21 59.96 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -91.64 -39.31 11.93 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.341 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 45' ' ' ILE . 33.6 mt-10 -120.02 5.91 10.85 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.22 -41.01 1.28 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.45 ' H ' ' C ' ' A' ' 43' ' ' GLU . 11.5 mm -40.22 110.17 0.65 Allowed Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 122.128 0.171 . . . . 0.0 111.147 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 3.1 Cg_exo -50.3 144.6 23.2 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.415 2.076 . . . . 0.0 112.142 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -49.17 -33.89 29.04 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.971 2.447 . . . . 0.0 112.336 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -76.52 -41.53 46.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.283 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -58.81 -18.44 32.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.318 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.505 ' NE2' ' HA ' ' A' ' 36' ' ' LYS . 0.7 OUTLIER -119.71 165.51 14.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.382 . . . . 0.0 111.019 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -142.11 171.48 13.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.834 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.83 118.41 21.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.934 0.397 . . . . 0.0 110.422 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.418 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 1.7 mp -113.47 122.85 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.561 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -130.93 131.58 44.55 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.036 0.446 . . . . 0.0 111.192 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.441 ' H ' ' CD1' ' A' ' 105' ' ' LEU . . . 55.25 59.49 3.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.783 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.65 4.24 0.59 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-N 116.2 -0.454 . . . . 0.0 112.99 178.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 55' ' ' ALA . 25.2 tttt -122.6 135.74 54.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 117.292 0.546 . . . . 0.0 110.94 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -72.32 130.21 40.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.836 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.0 mt -79.3 134.29 36.63 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.728 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -90.67 140.71 29.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.409 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.448 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 6.1 p-10 -48.93 -30.23 5.68 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.455 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.97 -1.9 85.86 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -77.39 152.48 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 p -113.94 162.22 16.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.465 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 mt -70.68 -44.67 66.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.549 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.592 ' H ' ' HA ' ' A' ' 29' ' ' SER . 23.7 t -65.6 -9.9 30.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.134 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.68 -61.06 2.55 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.54 -0.41 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.255 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 77.51 49.3 0.05 OUTLIER 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.063 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 33.7 mm -78.23 116.02 21.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.43 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.52 -131.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.474 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -101.16 -42.84 6.2 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.079 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.48 85.27 2.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.4 m -131.24 151.27 51.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.542 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 m -98.58 96.8 8.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mp -83.56 98.21 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.845 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -62.57 110.47 1.71 Allowed 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.3 tt -107.13 138.99 42.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.37 142.25 13.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.925 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.26 116.32 26.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.51 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.419 ' HG2' ' HG3' ' A' ' 93' ' ' GLU . 3.3 ttm-85 -82.19 -156.2 0.16 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.566 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.61 108.44 0.73 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.888 0.375 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -80.91 -28.28 35.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.636 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 148.08 89.68 0.08 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 53.53 45.18 67.61 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 t -149.06 50.1 0.98 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.2 ptp -74.88 -40.33 61.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.544 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.87 -108.78 0.2 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -145.69 -8.09 0.34 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.401 ' HA ' ' HE3' ' A' ' 99' ' ' LYS . . . -83.3 -11.48 57.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.782 0.325 . . . . 0.0 110.666 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.83 107.55 0.05 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.717 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -122.23 44.45 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.725 0.298 . . . . 0.0 110.98 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 5.2 mp0 48.45 69.86 0.51 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.53 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 2.5 mt-10 151.49 -73.35 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -61.69 -9.14 5.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.233 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.415 HD21 ' H ' ' A' ' 94' ' ' GLU . 1.2 pt? -69.15 -16.25 63.6 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.333 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.4 mt -95.31 -52.26 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -61.18 -35.37 76.96 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.82 0.343 . . . . 0.0 110.499 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 90' ' ' ALA . 3.3 ptmm? -76.26 -31.05 58.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.342 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.474 ' HA ' HD23 ' A' ' 103' ' ' LEU . . . -68.56 -30.2 68.92 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.509 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 25.6 mt -80.15 -28.96 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.274 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -92.98 -12.19 31.35 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.578 ' CD1' ' H ' ' A' ' 104' ' ' SER . 2.6 pp -97.18 -70.25 0.73 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 119.073 -1.051 . . . . 0.0 113.379 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.578 ' H ' ' CD1' ' A' ' 103' ' ' LEU . 25.6 t -99.54 -9.8 22.85 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -177.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.509 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 3.9 mm? -92.9 -45.68 7.86 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -56.35 -33.0 65.25 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.653 -179.545 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -73.86 -39.82 63.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.02 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.2 t -76.11 -14.45 60.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.439 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -58.77 -45.3 90.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.368 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -63.16 -35.51 80.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.005 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -89.15 13.85 12.22 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.271 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.69 -12.02 39.06 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.89 -17.18 42.4 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 92.5 t80 . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.3 179.802 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 57.6 t60 59.79 97.77 0.03 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.871 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 m80 54.56 73.31 0.41 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -125.95 -16.42 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.456 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.73 -168.91 1.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.691 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -92.2 89.5 6.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.58 -21.27 24.15 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.264 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.63 163.39 10.2 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -133.05 -18.31 2.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.548 0.213 . . . . 0.0 110.896 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -108.38 121.2 44.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.943 0.401 . . . . 0.0 110.874 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -125.36 117.15 23.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.807 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 pt -73.26 174.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.268 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -119.47 130.81 55.42 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.216 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.49 130.36 55.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.173 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HG3' ' H ' ' A' ' 16' ' ' THR . 1.1 tppt? -108.18 157.27 18.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.186 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.455 ' H ' ' HG3' ' A' ' 15' ' ' LYS . 69.5 p -112.54 164.23 13.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.402 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 3.3 tm? -54.23 -46.62 72.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.665 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.1 p -64.99 -21.88 66.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.838 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.51 47.74 1.49 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -105.67 131.0 53.57 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -90.23 129.65 36.45 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.022 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.84 128.07 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.298 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 m -108.35 128.48 54.8 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.416 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.1 140.19 47.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.665 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.24 96.74 7.96 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 m -118.58 -178.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.921 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -103.63 155.77 18.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.833 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.4 p -60.97 -23.05 65.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.33 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.55 ' HA ' ' H ' ' A' ' 66' ' ' SER . 1.4 m -115.15 4.05 14.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.569 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.09 160.87 0.18 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.897 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 p -98.61 158.8 15.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.459 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 40.9 mm -52.43 -48.19 46.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.513 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.25 -48.14 35.6 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.717 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -62.85 -44.45 96.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.045 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.2 t -57.34 -47.14 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.688 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 39' ' ' ILE . 29.2 mtpt -59.74 -62.21 2.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.061 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.4 p -45.94 -46.64 16.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.978 0.418 . . . . 0.0 109.879 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -49.26 -38.68 27.77 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.7 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.451 HG21 HD12 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -65.11 -42.89 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.497 179.657 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.418 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -57.33 -27.45 62.23 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.752 0.31 . . . . 0.0 110.754 -179.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.53 -27.4 61.33 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.709 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -92.27 -40.85 10.73 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.137 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' C ' ' H ' ' A' ' 45' ' ' ILE . 23.9 mt-10 -118.64 4.98 11.61 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.81 -42.52 1.82 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.468 HD11 HG22 ' A' ' 45' ' ' ILE . 8.0 mm -38.01 118.72 0.96 Allowed Pre-proline 0 N--CA 1.464 0.241 0 CA-C-N 115.855 -0.173 . . . . 0.0 111.321 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -70.59 143.49 46.97 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.199 1.933 . . . . 0.0 111.782 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -47.04 -35.68 19.32 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 123.031 2.487 . . . . 0.0 112.341 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -56.2 -32.53 64.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.025 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -95.31 -14.64 23.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.671 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -91.79 121.41 33.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.016 0.436 . . . . 0.0 111.221 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.37 147.09 39.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.297 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.56 112.95 21.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.692 0.282 . . . . 0.0 111.183 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.99 123.35 70.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -142.56 138.14 30.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.178 0.513 . . . . 0.0 110.964 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.556 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 60.11 55.08 3.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.798 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.477 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 55.84 8.09 1.96 Allowed Glycine 0 CA--C 1.529 0.915 0 CA-C-N 116.229 -0.442 . . . . 0.0 112.894 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -133.51 148.0 51.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.295 0.547 . . . . 0.0 111.26 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -76.39 122.6 24.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.849 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.96 129.6 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.922 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.12 128.9 34.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.086 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.425 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -53.79 -20.12 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.727 -179.012 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.58 -3.85 90.52 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -77.72 159.91 28.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.408 . . . . 0.0 111.051 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.7 p -117.58 167.95 10.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.45 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.82 -36.61 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.304 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.55 ' H ' ' HA ' ' A' ' 29' ' ' SER . 70.4 p -77.82 -10.57 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.134 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.66 -61.81 2.11 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -88.52 2.63 52.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.408 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER 77.42 12.91 2.0 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.132 0.491 . . . . 0.0 110.351 -179.626 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 mt -42.75 110.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.417 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -81.2 -145.38 0.05 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -99.24 -40.7 7.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.175 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.77 45.12 0.49 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.415 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -113.33 143.65 44.08 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.679 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.2 m -98.81 101.93 13.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.292 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.8 mp -81.48 101.0 9.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.002 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -67.36 109.33 3.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.973 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 tt -110.57 144.97 38.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.273 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.05 119.88 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.064 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.17 131.75 40.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.366 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.446 ' HD3' ' NH2' ' A' ' 83' ' ' ARG . 5.3 mtt-85 -86.6 174.96 8.56 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.071 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.57 104.12 7.95 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.818 0.342 . . . . 0.0 111.075 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.446 ' NH2' ' HD3' ' A' ' 81' ' ' ARG . 56.9 mtt-85 -111.41 30.2 7.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.398 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -141.59 -170.05 12.21 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.19 -160.22 21.29 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.3 t 49.46 46.45 23.34 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.994 0.426 . . . . 0.0 110.424 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -14.24 58.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.966 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.75 98.02 0.09 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.25 162.36 29.13 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.456 ' C ' ' HZ2' ' A' ' 99' ' ' LYS . . . -63.89 -27.86 69.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.742 -0.229 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.65 149.33 44.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.369 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -147.91 -111.67 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.639 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.423 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 2.6 tt0 -115.31 -40.46 3.43 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.332 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 95' ' ' GLU . 4.0 pt-20 -106.19 -46.3 4.1 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.672 0.272 . . . . 0.0 110.889 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 94' ' ' GLU . 7.0 pt-20 -61.29 -10.65 7.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.265 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 97' ' ' ILE . 1.1 pt? -70.12 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.954 0.406 . . . . 0.0 109.984 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.565 ' N ' HD22 ' A' ' 96' ' ' LEU . 7.4 mt -96.52 -51.87 10.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.994 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 99' ' ' LYS . 10.4 ptp180 -49.72 -43.15 47.44 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.184 -178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.706 ' CG ' ' H ' ' A' ' 100' ' ' ALA . 1.2 ptmt -74.9 -71.0 0.38 Allowed 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.967 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.706 ' H ' ' CG ' ' A' ' 99' ' ' LYS . . . -34.23 -30.6 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 99' ' ' LYS . 26.1 mt -80.69 -50.91 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.696 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 4.1 tp10 -83.91 -9.63 58.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.455 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 99' ' ' LYS . 11.7 tp -93.73 -73.21 0.58 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.3 t -99.14 -11.15 21.66 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.556 HD11 ' H ' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -94.09 -37.41 11.63 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.564 -0.454 . . . . 0.0 112.128 -178.472 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.445 ' C ' ' CD ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -75.45 -28.39 59.28 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.518 -179.755 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -60.64 -50.61 72.81 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.0 m -65.68 -23.27 66.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.07 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.447 HH21 ' C ' ' A' ' 105' ' ' LEU . 7.7 ttm180 -73.94 -29.46 62.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.171 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -77.93 -3.92 44.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.769 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 t -55.31 -38.56 68.83 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.614 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.53 -38.32 96.16 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.8 -45.71 95.95 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.521 179.783 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.62 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 0.7 OUTLIER -61.04 176.28 0.44 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.563 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.62 ' CG ' ' O ' ' A' ' 2' ' ' HIS . 11.1 p80 58.26 -34.9 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.04 0.837 . . . . 0.0 112.782 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.559 ' H ' ' C ' ' A' ' 2' ' ' HIS . 70.4 m-70 50.6 -162.36 0.06 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.694 0.283 . . . . 0.0 110.865 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.6 m80 55.33 -95.44 0.05 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 55.96 63.09 2.13 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.057 0.456 . . . . 0.0 110.614 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -75.92 -30.68 58.83 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.912 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.27 67.91 1.83 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.711 -0.955 . . . . 0.0 110.711 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -107.32 -4.79 18.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.599 0.238 . . . . 0.0 110.713 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -117.48 122.09 42.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.363 . . . . 0.0 110.167 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -125.19 117.88 24.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.685 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.0 pt -76.21 179.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.648 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -127.03 135.39 50.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.745 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.2 145.37 48.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.103 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.39 115.33 20.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.5 p -64.75 162.91 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.333 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.9 -11.11 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.579 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.9 p -87.32 -19.66 27.89 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.333 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.8 35.82 4.18 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.23 132.84 50.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.589 0.233 . . . . 0.0 110.461 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.75 125.54 34.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.268 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.0 mt -132.62 129.03 58.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.492 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 m -106.83 129.67 54.64 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.46 138.45 47.6 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.012 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -80.26 107.88 13.41 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.662 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.0 m -131.81 170.68 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.246 0.546 . . . . 0.0 111.596 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -87.06 159.23 19.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.885 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.5 t -67.05 -17.15 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.507 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.564 ' HA ' ' H ' ' A' ' 66' ' ' SER . 95.0 p -118.36 3.53 11.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.518 -178.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.49 160.83 0.1 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.814 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.4 p -106.83 171.58 7.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.816 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.1 mm -54.55 -51.95 45.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.263 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.67 -47.42 10.56 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.558 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -64.76 -39.76 94.16 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.067 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.3 t -63.59 -47.25 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.811 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -64.1 1.06 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.099 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t -49.34 -48.16 46.79 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.155 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -48.22 -34.79 10.74 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.016 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.47 HG23 HD13 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -70.88 -41.83 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.614 179.688 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 44' ' ' GLY . 2.3 pt20 -55.95 -30.42 61.67 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.767 0.317 . . . . 0.0 110.496 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -23.61 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -92.11 -42.85 9.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.354 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' A' ' 45' ' ' ILE . 51.2 mt-10 -123.31 7.1 9.05 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 74.64 -31.89 1.02 Allowed Glycine 0 CA--C 1.528 0.878 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.595 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.487 ' H ' ' C ' ' A' ' 43' ' ' GLU . 37.3 mm -38.48 133.81 0.98 Allowed Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.139 0.176 . . . . 0.0 111.451 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -69.78 130.66 19.7 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.311 2.007 . . . . 0.0 111.593 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -47.99 -35.36 25.1 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.8 2.334 . . . . 0.0 112.637 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.77 -43.12 63.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -65.06 -11.86 44.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -89.57 -176.43 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.135 0.493 . . . . 0.0 111.077 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -167.64 146.74 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.096 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.26 121.92 28.58 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.141 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 58' ' ' GLN . 3.1 mp -115.72 126.06 73.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.825 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -137.7 132.88 33.52 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.018 0.437 . . . . 0.0 110.756 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.429 ' N ' ' CD1' ' A' ' 105' ' ' LEU . . . 59.03 59.03 2.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.734 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.14 6.96 0.98 Allowed Glycine 0 CA--C 1.53 0.976 0 CA-C-N 116.103 -0.498 . . . . 0.0 113.127 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -132.28 139.71 48.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 117.351 0.575 . . . . 0.0 111.048 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.492 ' H ' HE21 ' A' ' 58' ' ' GLN . 0.0 OUTLIER -71.56 123.11 21.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.007 179.404 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 54.9 mt -65.51 124.36 22.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 mp0 -79.4 137.7 37.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.001 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -41.79 -30.96 0.27 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.861 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.42 10.72 28.02 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' GLU . 9.9 tpt180 -83.01 137.46 34.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 110.575 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.8 p -111.96 165.83 11.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.771 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mt -80.72 -40.19 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.884 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.564 ' H ' ' HA ' ' A' ' 29' ' ' SER . 17.0 p -70.32 -9.44 56.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.941 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -52.29 -61.6 2.17 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -94.35 0.94 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.21 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.7 m120 72.95 36.3 0.89 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.355 0.598 . . . . 0.0 109.657 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.4 mt -60.81 120.13 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.933 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -79.83 -143.43 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.134 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -101.5 -29.42 12.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.729 0.3 . . . . 0.0 110.311 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.47 54.6 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 m -122.76 146.34 47.6 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.9 m -101.83 98.65 8.87 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.158 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.71 96.56 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.623 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -61.32 106.28 0.61 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.809 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tt -102.9 144.84 30.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.346 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.0 t -121.18 147.92 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.794 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.89 121.1 37.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.025 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -77.86 175.52 9.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.906 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.11 130.4 56.58 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -27.84 69.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.602 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.95 -90.01 0.48 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.22 -69.14 0.09 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.8 t -122.84 81.35 1.86 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.96 0.41 . . . . 0.0 110.003 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -65.62 -13.22 58.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.777 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.32 2.07 89.25 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -92.13 -168.42 40.41 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.11 -61.36 1.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.835 0.35 . . . . 0.0 110.367 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -99.53 130.97 45.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.453 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -139.85 -124.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.831 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.567 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 10.9 tp10 -120.4 81.25 1.73 Allowed 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 28.8 tt0 143.3 -65.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.351 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -61.98 -9.35 6.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.516 HD21 ' H ' ' A' ' 94' ' ' GLU . 1.4 pt? -67.59 -21.6 65.41 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.905 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.3 mt -96.04 -52.64 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.593 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -60.06 -36.92 78.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.515 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.15 -30.29 38.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.656 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.423 ' HA ' HD23 ' A' ' 103' ' ' LEU . . . -69.95 -22.36 63.18 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.482 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 44.6 mt -89.59 -29.52 5.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.194 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 5.6 tt0 -93.54 -11.32 32.16 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.596 ' CD1' ' H ' ' A' ' 104' ' ' SER . 3.1 pp -95.27 -71.23 0.68 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 118.896 -1.122 . . . . 0.0 113.092 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.596 ' H ' ' CD1' ' A' ' 103' ' ' LEU . 15.0 t -100.85 -9.69 21.4 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 3.1 mm? -89.69 -43.87 10.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.653 -177.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -61.57 -27.23 68.48 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.851 -179.597 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.98 -32.08 69.35 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.305 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -33.53 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.373 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 -77.08 -24.45 51.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.733 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -61.42 -45.22 95.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.455 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.0 p -68.8 -24.68 64.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.542 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -69.57 -20.01 75.2 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.45 -32.77 78.71 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.508 -179.901 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 ttm . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.521 ' HD1' ' H ' ' A' ' 3' ' ' HIS . 1.9 t-80 60.55 -152.49 0.39 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.438 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.521 ' H ' ' HD1' ' A' ' 2' ' ' HIS . 50.3 m80 58.74 -173.89 0.09 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.713 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.71 34.37 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.011 0.434 . . . . 0.0 110.489 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -70.37 147.85 49.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.747 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.486 ' H ' ' HD1' ' A' ' 6' ' ' HIS . 31.5 p-80 -77.73 174.01 11.45 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.796 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -137.14 173.09 12.07 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.391 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.28 -87.01 0.94 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -173.72 110.91 0.18 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.464 ' CB ' ' HB3' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -116.08 165.07 13.56 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.127 0.965 . . . . 0.0 111.758 -178.495 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -60.49 122.12 13.83 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 113.362 -1.745 . . . . 0.0 110.592 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.99 -178.45 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.682 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -130.34 138.12 50.26 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.19 150.39 45.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.995 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -132.19 122.29 25.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.956 0.407 . . . . 0.0 111.407 -179.639 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -70.88 176.31 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.131 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.426 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 3.5 tm? -59.95 -48.93 79.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.115 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -61.52 -20.44 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.074 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.14 40.21 2.89 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -92.75 123.75 36.26 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.444 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.99 126.46 33.05 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.001 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.5 mt -133.18 128.85 56.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.575 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -103.95 127.51 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.217 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -132.14 139.85 48.56 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.126 0.489 . . . . 0.0 111.385 -179.488 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -81.06 107.26 13.72 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.587 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.66 -169.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.767 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -117.42 157.31 26.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.511 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.1 p -62.01 -22.37 65.65 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.061 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.552 ' HA ' ' H ' ' A' ' 66' ' ' SER . 96.9 p -115.73 3.98 13.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.637 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.62 164.04 0.15 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.797 0.332 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.1 p -97.65 156.76 16.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.2 mm -54.07 -43.29 58.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.087 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -47.83 -49.37 29.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.745 0.307 . . . . 0.0 110.461 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.455 HD22 ' HZ3' ' A' ' 38' ' ' LYS . 4.1 t30 -63.46 -39.86 95.59 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.921 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.32 -48.79 86.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.507 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HA ' HE22 ' A' ' 50' ' ' GLN . 44.7 mtmt -62.61 -60.35 3.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.134 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 m -47.07 -47.71 22.72 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.003 0.43 . . . . 0.0 109.874 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HZ3' HD22 ' A' ' 34' ' ' ASN . 10.4 mmtp -49.26 -39.11 29.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.9 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.471 HG23 HD12 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -64.63 -40.73 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -58.97 -29.24 67.04 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.797 0.332 . . . . 0.0 110.561 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -73.77 -24.88 59.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 42' ' ' LYS . 6.8 mptt -90.31 -43.44 10.35 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.982 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 45' ' ' ILE . 5.5 mt-10 -123.19 10.62 9.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.49 -38.45 0.71 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 121.048 -0.596 . . . . 0.0 111.92 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.47 ' H ' ' C ' ' A' ' 43' ' ' GLU . 1.9 mt -41.55 122.39 2.25 Favored Pre-proline 0 N--CA 1.464 0.261 0 CA-C-O 120.686 0.279 . . . . 0.0 111.602 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.18 139.94 86.41 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.485 2.123 . . . . 0.0 112.151 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.83 -33.87 52.75 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.834 2.356 . . . . 0.0 112.218 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -74.2 -40.01 62.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.18 -17.46 62.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.324 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.495 HE22 ' HA ' ' A' ' 36' ' ' LYS . 1.1 pp0? -123.09 173.07 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.41 169.99 20.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.526 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.55 114.03 25.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.162 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.81 119.18 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -143.61 137.32 28.25 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.12 0.486 . . . . 0.0 111.23 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 61.07 53.09 3.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.915 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.515 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 55.66 4.9 0.72 Allowed Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.692 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 55' ' ' ALA . 39.1 ttpt -125.42 131.92 52.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 117.106 0.453 . . . . 0.0 111.082 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -72.4 126.65 30.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.671 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.5 mt -79.38 145.02 33.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 110.662 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.99 139.05 31.03 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.713 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -55.33 -13.09 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.382 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.94 -8.01 60.77 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 159.14 27.13 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.925 0.362 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.69 159.55 20.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.454 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 mt -73.89 -39.6 63.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.328 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.552 ' H ' ' HA ' ' A' ' 29' ' ' SER . 15.1 t -70.59 -10.69 59.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.78 -24.35 66.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.932 0.396 . . . . 0.0 110.163 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.403 ' O ' ' CB ' ' A' ' 69' ' ' ASN . 22.6 t80 -125.78 -4.91 6.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.456 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER 78.31 30.75 0.4 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.23 0.538 . . . . 0.0 109.66 -179.102 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 mt -63.37 121.16 11.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.495 ' H ' ' HG ' ' A' ' 74' ' ' SER . 8.3 mt-30 -118.16 -172.1 2.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.678 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.476 ' C ' ' H ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -54.15 -50.57 66.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.467 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.443 ' H ' ' HG3' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -71.98 37.41 0.07 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.406 -179.37 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.495 ' HG ' ' H ' ' A' ' 71' ' ' GLN . 53.9 m -113.25 134.1 54.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.977 0.417 . . . . 0.0 110.589 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.9 m -98.83 103.92 15.92 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.004 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mp -86.27 155.27 20.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.609 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -121.31 113.51 20.02 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.7 tt -102.61 137.56 40.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 t -98.34 124.85 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.857 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.26 122.74 41.8 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.815 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -72.82 -173.5 1.23 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.807 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.13 100.98 4.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.623 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -98.15 -28.21 13.83 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.424 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.09 153.8 6.39 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.74 20.66 72.42 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.1 m -155.89 17.34 0.37 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.719 0.295 . . . . 0.0 110.53 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -57.31 9.86 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.66 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 54.51 -94.13 0.02 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.1 -31.82 0.04 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.47 -71.23 0.22 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.778 0.323 . . . . 0.0 110.344 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -86.97 132.11 33.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.081 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -143.8 28.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.321 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 59.63 66.32 1.02 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.64 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.486 ' H ' HD21 ' A' ' 96' ' ' LEU . 2.6 mt-10 162.16 -80.55 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.582 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -60.83 -10.19 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.556 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.486 HD21 ' H ' ' A' ' 94' ' ' GLU . 1.2 pt? -58.12 -17.47 18.52 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.433 ' N ' HD23 ' A' ' 96' ' ' LEU . 4.1 mt -95.29 -55.62 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.612 0.244 . . . . 0.0 110.868 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -62.73 -34.27 76.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.926 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -73.67 -35.0 65.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.829 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.02 -25.51 60.99 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 109.878 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.429 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 39.9 mt -76.68 -31.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -94.32 -12.23 28.44 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.951 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 1.2 mm? -93.17 -73.46 0.56 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -177.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.4 t -94.56 -11.61 29.14 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.515 ' HG ' ' H ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER -79.52 -34.84 40.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.708 0.29 . . . . 0.0 110.628 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -84.04 -28.17 27.81 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.89 -35.63 81.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.131 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.4 m -65.0 -40.79 95.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.329 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -70.54 -34.95 72.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.283 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -21.41 54.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.595 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.8 t -72.11 -12.19 61.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.64 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.64 -17.41 48.84 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.06 -67.18 2.15 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 35.2 p90 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.748 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 ttm . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -152.26 95.32 2.04 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.337 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -109.53 -146.45 0.4 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.424 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 67.02 -73.43 0.08 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.989 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.89 120.17 10.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.639 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.28 -123.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.206 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -148.62 -32.55 0.24 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.632 0.253 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.437 ' H ' ' NE ' ' A' ' 72' ' ' ARG . . . 76.83 10.71 85.95 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -178.87 64.31 0.01 OUTLIER 'General case' 0 C--O 1.233 0.225 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.82 -175.91 3.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.939 -178.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -62.59 175.08 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.572 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.8 pt -141.86 167.09 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.07 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -112.74 125.07 53.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.17 130.19 56.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.868 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -116.64 117.46 29.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.3 p -66.27 163.93 16.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.387 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' C ' ' CD1' ' A' ' 17' ' ' LEU . 3.4 tm? -55.45 -46.0 76.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.982 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.6 p -60.56 -22.27 63.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.71 47.1 1.68 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -105.15 134.94 47.42 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.63 118.23 26.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.752 0.311 . . . . 0.0 110.689 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.8 mt -132.88 132.66 59.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.6 135.31 51.44 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -132.75 141.61 48.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.843 179.886 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -83.51 99.86 10.4 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.864 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.0 m -128.42 154.78 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.194 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -76.82 159.63 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.786 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -65.2 -22.18 66.86 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.57 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.544 ' HA ' ' H ' ' A' ' 66' ' ' SER . 96.7 p -114.73 3.98 14.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.315 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.11 159.73 0.41 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.786 0.327 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.2 p -93.88 154.44 17.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.248 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.7 mm -50.23 -45.77 24.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.326 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -48.9 -42.81 38.16 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.558 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.04 -40.11 90.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.044 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.76 -50.45 80.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.82 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -59.54 -59.67 5.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.077 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.7 p -48.36 -46.74 37.14 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.254 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -50.26 -37.33 35.38 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.459 HG22 HD11 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -68.12 -42.54 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 179.665 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.7 OUTLIER -57.95 -27.46 63.43 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.76 -179.596 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 3.5 t70 -72.65 -25.73 61.39 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -92.36 -40.99 10.59 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.03 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' C ' ' H ' ' A' ' 45' ' ' ILE . 16.7 mm-40 -115.17 3.46 14.34 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.83 -43.59 1.68 Allowed Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.401 ' H ' ' C ' ' A' ' 43' ' ' GLU . 7.2 mm -41.56 118.72 1.87 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.5 0.19 . . . . 0.0 111.34 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -51.73 142.54 40.89 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.514 2.143 . . . . 0.0 112.088 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -50.81 -40.26 57.25 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 122.94 2.427 . . . . 0.0 112.343 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -66.02 -40.85 91.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -16.6 45.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.919 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -116.89 167.15 11.38 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.699 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -138.18 166.99 22.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.7 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.26 112.25 17.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 110.491 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.8 mp -111.83 122.07 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -137.32 135.59 37.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.959 0.409 . . . . 0.0 110.862 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.455 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 57.21 54.57 6.66 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.332 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.71 7.11 1.39 Allowed Glycine 0 CA--C 1.529 0.917 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.755 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -123.47 140.17 53.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 117.272 0.536 . . . . 0.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.85 124.2 27.37 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.94 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.5 mt -78.91 137.37 37.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 110.436 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -90.92 141.51 28.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.693 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -19.92 2.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.261 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.51 -7.93 68.65 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.894 -0.483 . . . . 0.0 111.894 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -73.74 160.62 31.26 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.845 0.355 . . . . 0.0 110.942 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.0 p -118.75 164.58 15.17 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.402 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.72 -36.32 57.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.567 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.544 ' H ' ' HA ' ' A' ' 29' ' ' SER . 49.1 p -78.05 -10.43 59.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.494 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -53.3 -62.91 1.35 Allowed 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.03 6.1 43.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.384 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.8 34.92 1.46 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.6 mm -51.24 99.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.012 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.629 ' H ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER -67.29 156.1 37.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.847 -179.524 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.437 ' NE ' ' H ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -52.28 -48.82 65.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.655 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -80.13 55.37 2.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.0 t -110.63 138.97 46.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.503 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.5 m -91.72 99.04 12.0 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.039 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.22 151.36 23.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.392 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -121.76 117.05 25.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.928 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.0 tt -108.2 145.81 33.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.22 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.8 m -115.24 134.22 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.341 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mt -104.24 131.12 51.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.754 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -87.13 138.61 31.35 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.324 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.64 99.32 9.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.957 0.408 . . . . 0.0 110.605 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.03 -15.59 62.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.618 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.79 -42.29 59.22 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 149.56 -71.12 0.31 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.8 t -153.39 125.78 8.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.797 0.332 . . . . 0.0 110.581 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -45.63 31.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.442 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.36 -23.09 8.81 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.8 -123.72 2.21 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.8 -71.78 0.19 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.661 0.267 . . . . 0.0 110.645 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.57 -179.04 5.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.346 -0.388 . . . . 0.0 109.995 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.64 20.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.456 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 56.23 60.0 3.4 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.404 ' H ' HD22 ' A' ' 96' ' ' LEU . 23.9 tt0 169.03 -80.48 0.0 OUTLIER 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.021 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 97' ' ' ILE . 13.9 pt-20 -55.42 -24.12 28.69 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.473 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.404 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.4 pt? -42.7 -19.35 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 95' ' ' GLU . 3.4 mt -90.48 -58.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.642 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -61.66 -32.4 72.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.125 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -28.92 35.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.543 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.429 ' HA ' HD23 ' A' ' 103' ' ' LEU . . . -70.8 -22.36 62.37 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.5 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 19.8 mt -88.25 -30.71 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.259 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 3.8 tt0 -92.83 -11.75 32.88 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 104' ' ' SER . 3.2 pp -96.2 -70.02 0.73 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.122 -1.031 . . . . 0.0 113.136 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.55 ' N ' ' CD1' ' A' ' 103' ' ' LEU . 26.9 m -100.41 -10.46 21.15 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.5 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 3.9 mm? -93.22 -43.62 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -177.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -52.17 -29.46 22.38 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.252 -179.164 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.52 -36.37 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.578 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 86.7 p -90.8 -6.79 53.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -66.54 -54.57 22.25 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.419 -179.774 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -54.63 -43.92 72.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.698 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.2 p -72.29 -36.19 68.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.449 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.05 -37.55 95.14 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.405 ' C ' ' CG ' ' A' ' 114' ' ' TYR . . . -94.32 -6.61 61.25 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.405 ' CG ' ' C ' ' A' ' 113' ' ' GLY . 3.7 p90 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.684 -0.674 . . . . 0.0 111.006 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 ptt? . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -155.17 146.69 23.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.55 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -82.63 -171.52 3.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.503 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -86.82 53.28 2.77 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.354 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -82.36 7.97 12.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.66 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.0 t60 65.88 152.54 0.06 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -66.58 172.45 4.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.01 173.7 22.55 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -144.14 -153.26 0.46 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -113.38 120.22 40.33 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.447 ' N ' HE21 ' A' ' 11' ' ' GLN . 0.0 OUTLIER -127.15 120.61 29.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.296 -179.328 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.8 pt -75.75 178.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -122.12 131.53 54.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.928 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.23 135.67 54.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.405 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -113.0 155.23 25.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.42 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.5 p -112.81 168.67 9.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.532 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -70.53 -3.92 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.298 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.5 p -104.99 -17.96 14.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.348 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.42 45.35 1.84 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 26.2 tptp -105.65 122.17 45.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -94.01 110.69 22.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.236 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 mp -115.99 133.31 62.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.0 m -106.27 127.81 53.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.118 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.03 135.67 46.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.748 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.44 96.35 6.03 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.706 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.9 m -124.01 177.25 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.256 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -94.98 154.54 17.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.688 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -62.43 -18.67 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.504 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.578 ' HA ' ' H ' ' A' ' 66' ' ' SER . 11.9 t -116.5 4.25 13.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.327 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -48.34 161.46 0.12 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.719 0.295 . . . . 0.0 110.953 -179.763 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.1 p -94.4 157.28 16.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.796 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.8 mm -52.33 -47.96 45.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.171 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -47.19 -43.61 21.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.213 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -42.34 95.05 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.84 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -58.86 -49.76 81.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.566 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HZ1' ' CB ' ' A' ' 36' ' ' LYS . 6.7 mtmp? -62.45 -60.54 3.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.196 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.7 p -48.06 -52.49 19.94 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.533 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -51.21 -32.85 25.3 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.226 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.442 HD11 HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -74.17 -43.5 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.807 179.767 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.497 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -59.56 -29.37 67.88 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.531 -179.138 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.497 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 25.8 t70 -71.17 -28.49 64.29 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -92.76 -36.23 13.0 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.155 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -115.05 1.8 14.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.42 -45.8 1.84 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.419 ' H ' HG12 ' A' ' 45' ' ' ILE . 6.2 mm -37.49 111.89 0.57 Allowed Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 122.086 0.154 . . . . 0.0 111.386 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -50.52 137.32 40.61 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 122.51 2.14 . . . . 0.0 111.921 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.429 ' HD3' ' CB ' ' A' ' 40' ' ' GLN . 2.5 Cg_endo -51.49 -44.27 44.83 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.732 2.288 . . . . 0.0 112.676 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.67 -18.2 65.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.352 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -84.29 -5.61 59.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' OE1' ' CG2' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -123.66 164.96 18.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.965 0.412 . . . . 0.0 111.226 -178.691 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -137.95 162.43 34.09 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.94 109.89 17.05 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.8 mp -111.28 117.39 54.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -130.53 135.08 47.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.966 0.412 . . . . 0.0 111.057 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.438 ' N ' HD13 ' A' ' 105' ' ' LEU . . . 58.94 57.34 3.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.272 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 51.89 11.54 0.96 Allowed Glycine 0 CA--C 1.529 0.919 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.854 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -127.75 141.36 51.61 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 117.226 0.513 . . . . 0.0 111.116 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -77.34 126.59 31.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.988 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.3 mt -86.13 146.29 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.095 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -88.74 133.28 34.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.085 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -49.83 -21.27 1.07 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.918 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.16 -0.51 88.72 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 121.292 -0.48 . . . . 0.0 111.978 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 mtt85 -74.81 164.06 26.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.841 0.353 . . . . 0.0 110.992 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.9 p -115.48 162.56 17.01 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.525 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 30' ' ' ASP . 8.9 mt -71.14 -37.82 72.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.871 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.578 ' H ' ' HA ' ' A' ' 29' ' ' SER . 44.5 t -72.43 -10.39 59.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -56.2 -61.51 2.35 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -86.15 -0.85 56.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.282 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 75.8 45.61 0.12 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.295 0.569 . . . . 0.0 109.757 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.2 mt -82.89 143.77 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.705 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -137.37 179.86 6.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.343 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 74' ' ' SER . 1.6 ptt85 -52.51 -48.62 65.9 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.901 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' H ' ' HG3' ' A' ' 72' ' ' ARG . 34.4 mt-10 -74.63 37.89 0.11 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.346 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 72' ' ' ARG . 15.1 t -118.18 143.72 46.29 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.817 0.341 . . . . 0.0 110.639 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -103.44 104.38 14.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.148 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.6 mp -85.34 157.26 20.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.902 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -117.58 107.81 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.676 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.8 tp -101.81 135.03 44.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.209 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.2 t -108.56 109.64 29.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.27 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.95 101.73 3.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.345 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 4.4 ttt180 -71.76 138.9 48.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.599 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.31 127.8 33.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.455 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -58.7 -20.64 50.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.263 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -162.62 118.53 0.82 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -60.01 95.11 0.07 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.1 t -157.86 -11.35 0.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.636 0.255 . . . . 0.0 110.518 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.1 ttt -60.38 -36.42 78.03 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.571 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.91 10.51 46.31 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.37 -146.92 12.9 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.57 -44.92 56.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 110.411 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -103.51 133.91 47.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.179 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -153.77 51.97 0.69 Allowed 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.297 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 1.5 tm-20 43.76 71.16 0.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.49 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 19.4 tt0 149.62 -74.22 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.739 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.29 -9.73 19.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.523 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.479 ' CD1' ' H ' ' A' ' 94' ' ' GLU . 0.4 OUTLIER -79.71 -13.04 59.74 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.565 -179.764 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.3 mt -94.41 -49.04 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.273 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -65.19 -34.97 79.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.705 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -27.68 50.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.412 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.03 -34.47 38.33 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.491 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 26.3 mt -67.43 -37.34 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.457 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -93.46 -27.18 16.85 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.594 ' HG ' ' N ' ' A' ' 104' ' ' SER . 0.3 OUTLIER -97.35 -52.63 3.74 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.842 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.594 ' N ' ' HG ' ' A' ' 103' ' ' LEU . 75.8 p -97.02 -14.33 21.7 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 1.9 mm? -91.77 -27.38 18.05 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.522 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -85.74 -25.25 26.55 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.428 0.632 . . . . 0.0 109.316 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -76.63 -31.11 57.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.011 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -58.03 -29.27 65.21 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.386 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -57.47 -39.05 75.54 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.897 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -70.3 -29.21 65.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.981 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.0 m -88.23 11.51 16.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.371 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -68.92 1.5 10.28 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.27 -27.06 57.37 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.461 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 mtm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -65.93 170.59 5.3 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.554 ' CD2' ' H ' ' A' ' 4' ' ' HIS . 3.4 p-80 -139.29 -60.19 0.57 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.554 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 72.1 m80 -148.15 -26.0 0.34 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 68.7 118.37 0.03 OUTLIER 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.593 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -60.34 96.83 0.04 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.271 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -157.96 145.72 18.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.675 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.33 137.27 0.57 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -123.94 -14.86 7.04 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.792 0.329 . . . . 0.0 110.525 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -120.26 123.53 43.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.744 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.412 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 7.4 pt20 -124.58 120.8 32.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 pt -74.67 174.02 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -121.92 136.89 54.95 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.73 143.93 49.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.525 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.3 tptm -132.87 125.85 30.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.521 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 64.5 p -71.91 162.46 29.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.017 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.29 -47.17 69.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.306 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.4 p -63.66 -17.07 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.374 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.47 50.98 1.16 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.991 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 28.2 tptp -106.7 114.43 28.53 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -82.73 116.36 22.05 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.692 0.282 . . . . 0.0 110.975 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.8 mt -133.09 128.09 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.584 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 m -104.32 133.49 49.13 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.277 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.47 136.65 46.85 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.967 0.413 . . . . 0.0 111.487 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.486 ' H ' ' NZ ' ' A' ' 38' ' ' LYS . 1.7 mm-40 -80.58 98.19 7.53 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.493 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.8 m -122.15 154.12 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.97 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -68.27 153.37 43.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.18 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.6 t -61.45 -19.15 61.67 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.725 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.618 ' HA ' ' H ' ' A' ' 66' ' ' SER . 6.1 t -118.25 4.65 11.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 160.46 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 111.258 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -101.45 162.56 12.81 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.361 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.436 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 28.7 mm -57.16 -49.1 80.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.643 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -46.71 -47.1 20.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.717 0.294 . . . . 0.0 110.535 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -63.74 -37.85 88.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.843 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.96 -44.11 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.224 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.43 -64.24 1.01 Allowed 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.952 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.415 ' N ' ' HB3' ' A' ' 47' ' ' PRO . 18.7 p -49.61 -50.62 42.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.461 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.486 ' NZ ' ' H ' ' A' ' 25' ' ' GLU . 17.6 tptp -51.1 -30.32 15.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.027 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.548 ' CG2' ' NE2' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -75.47 -40.13 41.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.309 179.468 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' GLY . 4.3 pt20 -56.95 -27.86 61.57 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.882 0.372 . . . . 0.0 110.177 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.68 -26.11 65.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -92.57 -39.49 11.32 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.08 -0.964 . . . . 0.0 112.326 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 45' ' ' ILE . 10.0 mm-40 -117.28 3.86 12.6 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.45 -37.61 0.7 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.542 ' HB ' ' NE2' ' A' ' 50' ' ' GLN . 4.8 mm -46.5 122.14 6.7 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -50.33 139.17 36.96 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.872 2.381 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HB3' ' N ' ' A' ' 37' ' ' SER . 2.4 Cg_endo -48.59 -41.16 37.67 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 123.379 2.719 . . . . 0.0 112.887 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -69.45 -14.73 63.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.971 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.57 -15.46 37.34 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.415 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.548 ' NE2' ' CG2' ' A' ' 39' ' ' ILE . 5.8 mt-30 -105.3 138.57 41.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.486 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.477 ' HE ' ' C ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -117.54 145.17 44.43 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.462 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.5 mp -119.55 123.07 43.06 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.592 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mp -113.03 122.06 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.091 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -126.94 127.16 44.42 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.855 0.36 . . . . 0.0 110.206 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.513 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 56.39 60.48 3.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.494 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.49 6.97 1.2 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.865 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -124.29 138.1 54.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.237 0.518 . . . . 0.0 111.109 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.77 122.77 23.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.968 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 67.5 mt -69.06 126.75 30.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -85.18 141.59 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.343 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.436 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -50.19 -16.29 0.3 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.15 -178.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.84 -1.0 68.17 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.902 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -75.84 148.28 38.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.82 0.343 . . . . 0.0 111.0 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -110.96 167.88 9.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.1 mt -80.85 -46.18 15.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.473 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.618 ' H ' ' HA ' ' A' ' 29' ' ' SER . 23.0 t -68.76 -9.49 51.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.571 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -50.95 -61.78 2.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.958 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -103.72 -2.69 26.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.425 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.8 m120 68.21 45.03 1.31 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.259 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -17.99 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.713 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.449 ' HB3' ' H ' ' A' ' 72' ' ' ARG . 7.4 mm-40 58.4 -159.83 0.27 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.62 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.449 ' H ' ' HB3' ' A' ' 71' ' ' GLN . 5.5 ptm180 -101.51 -38.75 7.84 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.753 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.85 58.4 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 0.0 110.717 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.4 t -131.56 152.92 50.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.685 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.57 103.93 14.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.329 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -81.85 105.02 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.876 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.9 109.62 4.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.748 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 16' ' ' THR . 6.8 tt -117.92 152.17 35.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.434 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 51' ' ' ARG . 18.5 m -130.15 133.66 63.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.8 mt -91.91 125.38 36.59 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.784 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 -81.72 147.53 29.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.415 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' A' ' 84' ' ' GLY . 0.2 OUTLIER -127.29 117.47 22.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.107 179.526 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -72.76 32.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.144 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' A' ' 82' ' ' LEU . . . -156.41 -22.98 0.03 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 58.9 50.28 69.31 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.9 p -114.03 -0.69 13.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.635 0.255 . . . . 0.0 110.651 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -44.82 79.89 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.476 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 167.34 163.26 20.91 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -58.43 -25.85 58.5 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.86 -71.48 0.35 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.677 0.275 . . . . 0.0 110.534 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.55 136.82 40.74 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.237 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.12 -65.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -166.5 -40.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.435 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -111.92 -47.06 3.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.454 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.83 -10.8 10.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.93 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.79 -9.66 58.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.507 179.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.0 mt -92.5 -58.45 3.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.597 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -58.48 -34.7 71.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.436 ' O ' ' CD2' ' A' ' 103' ' ' LEU . 2.3 pttp -80.23 -28.82 38.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.317 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.48 ' HA ' HD21 ' A' ' 103' ' ' LEU . . . -69.4 -19.99 63.81 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.476 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 21.2 mt -88.85 -33.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.093 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.67 -12.36 34.35 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.547 ' CD1' ' N ' ' A' ' 104' ' ' SER . 3.0 pp -96.27 -68.55 0.79 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 119.261 -0.976 . . . . 0.0 113.055 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.547 ' N ' ' CD1' ' A' ' 103' ' ' LEU . 48.5 t -99.65 -10.9 21.42 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -177.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.513 HD12 ' H ' ' A' ' 55' ' ' ALA . 0.8 OUTLIER -93.23 -38.06 11.74 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.045 -178.154 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -16.9 44.72 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.053 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.29 -28.43 68.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.482 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.6 t -78.56 -9.7 59.45 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.021 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.9 ttm105 -59.23 -39.47 82.83 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.653 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -58.48 -41.92 86.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.397 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.2 m -95.16 18.03 13.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.52 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.99 83.94 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.93 -8.14 40.22 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.673 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.87 -176.78 1.5 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.709 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -155.99 -47.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.166 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -89.55 -42.64 11.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.974 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 57.16 74.03 0.43 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.815 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -143.0 -15.43 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.366 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -68.17 -20.76 64.9 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.386 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.04 87.55 0.62 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -112.84 141.67 46.39 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -110.98 120.92 43.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.056 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.552 HE21 HH12 ' A' ' 72' ' ' ARG . 11.4 pt20 -124.83 115.02 20.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.42 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.8 pt -75.15 174.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -122.89 132.22 54.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.868 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.66 134.06 55.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.805 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -130.6 117.06 18.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.014 0.435 . . . . 0.0 110.913 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.2 p -73.75 172.24 11.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.39 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.426 ' CD2' ' HA ' ' A' ' 96' ' ' LEU . 13.2 tp -70.88 -9.85 58.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.3 p -84.71 -20.6 30.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.524 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.53 27.51 7.56 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 3.7 tmtm? -96.32 121.73 38.43 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -92.95 131.12 38.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 0.0 110.651 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 mp -132.74 129.25 58.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.525 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -106.62 120.6 42.39 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.287 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.71 140.69 52.2 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -86.16 113.78 22.48 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.455 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 m -138.95 155.1 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.053 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.68 161.23 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.212 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 18.2 t -64.43 -16.89 63.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.572 ' HA ' ' H ' ' A' ' 66' ' ' SER . 2.9 t -117.6 4.74 12.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.558 -178.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.48 157.0 0.07 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 111.002 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.2 p -106.66 164.71 11.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.975 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.459 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 38.1 mm -50.97 -53.2 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.889 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -42.34 -50.56 5.04 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.979 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -63.86 -36.86 85.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.519 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.12 -50.58 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.062 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -58.78 -61.32 2.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.229 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.0 p -47.82 -47.62 31.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.457 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -52.1 -33.42 39.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.103 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -47.58 44.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.28 -30.06 61.98 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -178.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.507 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 17.3 t70 -74.59 -27.56 60.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.186 0.517 . . . . 0.0 109.678 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -92.32 -41.54 10.31 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.228 -0.897 . . . . 0.0 112.364 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -115.76 4.06 13.94 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' ILE . . . 78.66 -47.03 2.96 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.738 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.419 ' O ' ' CB ' ' A' ' 40' ' ' GLN . 8.3 mm -31.57 129.15 0.3 Allowed Pre-proline 0 N--CA 1.468 0.439 0 C-N-CA 122.356 0.262 . . . . 0.0 111.292 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.2 Cg_exo -72.63 136.47 25.83 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.493 2.128 . . . . 0.0 112.201 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -54.02 -42.06 70.03 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -62.58 -7.39 4.63 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.426 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -112.01 -5.68 14.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.8 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -96.89 131.98 43.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.666 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -112.69 139.37 48.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -111.71 113.72 26.27 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.668 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.5 mp -115.17 124.15 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.463 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -142.11 135.9 29.54 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.131 0.491 . . . . 0.0 110.749 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.572 ' H ' HD13 ' A' ' 105' ' ' LEU . . . 59.06 55.2 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.586 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.443 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 56.92 5.43 1.34 Allowed Glycine 0 CA--C 1.528 0.886 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.722 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 55' ' ' ALA . 57.4 mmtt -128.19 146.5 50.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.21 0.505 . . . . 0.0 111.278 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -77.96 123.23 26.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.893 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 54' ' ' TRP . 54.5 mt -72.77 135.74 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.104 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -90.89 137.24 32.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.717 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 13.1 t70 -45.69 -28.05 0.93 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.945 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.3 2.62 61.29 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -78.42 147.75 33.89 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 p -117.54 159.77 22.32 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.749 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.41 ' HB3' ' O ' ' A' ' 28' ' ' SER . 7.1 mt -68.93 -42.29 76.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.599 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.572 ' H ' ' HA ' ' A' ' 29' ' ' SER . 33.6 t -69.25 -10.78 59.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.161 -179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -58.12 -61.03 2.85 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -86.57 -1.86 58.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.494 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 70.52 23.16 4.88 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.134 0.492 . . . . 0.0 109.841 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.9 mt -53.47 132.34 16.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.557 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.5 -146.98 0.15 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.977 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.552 HH12 HE21 ' A' ' 11' ' ' GLN . 4.5 ptm180 -100.15 -38.42 8.53 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.685 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -76.17 7.58 4.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.3 p -66.74 139.72 57.83 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.5 m -101.87 103.03 13.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.101 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.4 157.98 17.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.438 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.95 115.95 24.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.845 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.8 tt -113.95 89.85 3.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.8 m -79.56 133.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.4 mt -94.42 117.77 30.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.266 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -81.99 127.29 32.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.82 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.64 125.84 34.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.178 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -81.33 32.06 0.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.13 -27.67 0.02 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.24 18.83 71.67 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.4 p -70.05 -11.24 60.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.773 0.32 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 66.1 mmm -65.19 -57.4 8.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.517 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 57.16 79.77 0.09 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.85 -137.67 2.32 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.49 -9.96 39.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -155.98 106.34 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.009 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -93.88 -55.0 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.298 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -178.88 -44.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.186 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.55 -47.26 3.66 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.793 0.33 . . . . 0.0 110.381 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -56.08 -24.95 43.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.001 -179.361 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -58.41 -17.1 17.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.492 ' N ' HD23 ' A' ' 96' ' ' LEU . 2.3 mt -96.24 -50.82 11.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 99' ' ' LYS . 8.7 ptm180 -55.13 -43.42 74.14 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.729 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 103' ' ' LEU . 33.1 mtmm -68.33 -73.73 0.14 Allowed 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 120.56 -0.456 . . . . 0.0 109.975 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -33.96 -29.14 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' LYS . 25.2 mt -76.06 -54.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.018 0.437 . . . . 0.0 110.344 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -83.42 -10.21 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.087 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 99' ' ' LYS . 65.1 tp -92.76 -72.15 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.33 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.4 m -97.2 -19.65 18.46 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.572 HD13 ' H ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -93.72 -23.36 18.25 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.488 -179.516 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -20.55 0.06 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.73 0.3 . . . . 0.0 111.37 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -61.01 -25.05 66.63 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.629 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.7 t -70.91 -14.54 62.42 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.797 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -70.21 -2.04 12.01 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -67.68 -6.16 19.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.823 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.9 m -61.28 -18.48 58.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.789 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.84 -16.02 58.72 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.82 -50.96 61.1 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.69 179.932 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.98 -170.61 1.87 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.51 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -84.87 24.06 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -57.25 129.97 44.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -89.49 112.28 23.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.777 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -170.87 -40.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.291 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -83.86 99.45 10.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 156.65 41.32 0.02 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -160.84 -175.23 4.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -113.76 122.3 46.66 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.498 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -101.8 175.27 5.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 110.694 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.0 pt -144.78 168.66 9.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.043 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -112.3 117.64 33.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.215 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.15 131.08 55.99 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.9 ttpm? -124.87 117.14 23.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.119 0.485 . . . . 0.0 111.485 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 70.2 p -70.74 166.29 21.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.418 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.4 tp -64.59 -21.28 66.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.495 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p -74.35 -17.32 60.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.409 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.54 28.57 8.89 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 1.8 tmmm? -100.13 131.53 46.02 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 m -92.06 132.58 36.46 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.636 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.9 mt -133.5 129.56 56.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.986 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.7 m -106.46 126.58 52.43 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.155 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -133.02 141.81 48.47 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.217 -179.468 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.56 112.4 18.75 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.605 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.92 -173.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.294 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -107.31 161.21 15.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.845 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.2 m -64.7 -20.45 66.33 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.062 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.598 ' HA ' ' H ' ' A' ' 66' ' ' SER . 84.2 p -117.87 4.14 12.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.491 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.17 156.01 0.11 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.704 0.288 . . . . 0.0 110.659 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -98.19 160.28 14.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.537 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.8 mm -48.35 -50.82 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.795 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -43.28 15.95 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.737 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -66.63 -37.49 84.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.261 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.82 -49.9 77.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.077 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -57.65 -62.55 1.71 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.257 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 p -45.18 -48.83 12.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.505 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -36.3 33.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.182 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.604 ' CG2' HE22 ' A' ' 50' ' ' GLN . 0.5 OUTLIER -68.6 -43.96 83.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.545 179.767 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.44 -29.3 58.38 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.487 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.35 -23.42 60.22 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -92.38 -42.61 9.69 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.236 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -120.83 5.98 10.45 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.77 -41.31 1.91 Allowed Glycine 0 CA--C 1.529 0.961 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.895 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.9 mm -35.51 123.99 0.63 Allowed Pre-proline 0 N--CA 1.468 0.446 0 N-CA-C 111.593 0.219 . . . . 0.0 111.593 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -70.84 135.21 27.37 Favored 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 122.471 2.114 . . . . 0.0 111.908 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.75 -39.44 67.13 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 123.033 2.489 . . . . 0.0 112.504 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.2 -2.5 2.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 112.179 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -115.94 2.18 13.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.604 HE22 ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -127.84 171.11 12.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.157 0.504 . . . . 0.0 111.338 -178.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 ptm85 -150.89 176.72 10.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.644 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.12 128.27 33.79 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.291 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.95 128.36 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -137.59 131.49 31.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.157 0.504 . . . . 0.0 111.106 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.516 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 59.4 59.6 2.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.733 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.401 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 52.88 9.36 0.78 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-N 116.256 -0.429 . . . . 0.0 113.08 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -133.21 141.76 48.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.384 0.592 . . . . 0.0 110.957 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -70.21 128.79 37.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.902 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.6 mt -67.12 -148.13 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.922 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -174.4 140.4 0.64 Allowed 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.479 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -48.48 -23.61 1.02 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.498 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.28 -0.3 89.46 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.741 -0.543 . . . . 0.0 111.741 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -86.81 146.13 26.35 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.4 p -114.85 162.66 16.6 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.12 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.89 -36.08 75.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.598 ' H ' ' HA ' ' A' ' 29' ' ' SER . 84.3 p -78.55 -9.97 59.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.789 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -55.66 -61.84 2.08 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.052 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.0 3.65 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.231 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 m120 70.19 33.27 2.68 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.216 0.531 . . . . 0.0 109.924 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.78 107.3 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.326 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -72.42 157.33 37.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.509 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 ptt-85 -49.28 -42.97 42.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.285 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.37 62.89 6.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.654 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.7 m -122.56 151.43 41.41 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.8 m -98.26 97.65 9.02 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.644 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.97 155.76 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.801 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -120.43 108.08 13.68 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.514 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 16' ' ' THR . 3.8 tt -102.58 140.19 37.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.005 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 73.3 t -108.3 136.43 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.272 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.9 mt -119.33 117.47 28.64 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -72.45 140.36 48.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.148 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 147.02 23.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.622 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -115.51 -26.97 7.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.224 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 147.07 93.43 0.12 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.25 -56.3 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.8 p -133.5 55.82 1.88 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.035 0.445 . . . . 0.0 110.323 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -64.77 -32.83 74.69 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.744 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.46 101.72 0.66 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.46 -179.13 37.95 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.68 -53.87 41.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.814 0.34 . . . . 0.0 110.697 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . . . -85.9 141.83 29.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.418 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.86 -43.31 1.23 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.172 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 169.13 -51.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.757 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -102.06 -49.97 3.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.48 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.2 -39.89 73.16 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.188 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -40.67 -24.56 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.32 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 96' ' ' LEU . 2.1 mt -77.51 -61.75 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.18 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -66.8 -25.57 66.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.291 0.567 . . . . 0.0 109.631 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 35.9 tptt -73.6 -40.77 63.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.638 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.88 -23.41 60.73 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.967 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.494 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 38.9 mt -75.73 -36.2 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.646 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.64 -10.86 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.629 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 1.2 mm? -92.34 -72.85 0.57 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.966 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.0 m -98.73 -14.73 19.63 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.516 HD11 ' H ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -94.18 -34.32 12.96 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.993 -178.726 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -34.88 -35.77 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.184 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -45.18 -46.85 12.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.807 0.337 . . . . 0.0 110.444 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.1 t -54.87 -49.02 72.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.631 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -38.85 89.76 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.49 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -38.43 81.59 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.352 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.0 m -84.71 -14.5 48.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.474 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.82 20.28 16.18 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.31 -37.62 93.36 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.316 179.751 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 mtp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -135.34 97.33 3.67 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.685 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -91.46 132.14 36.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.069 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -162.18 136.71 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.624 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.6 t60 60.6 102.5 0.02 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.977 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -155.5 -14.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.348 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -130.62 145.49 51.91 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.448 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.18 123.2 1.19 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -143.69 -38.03 0.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.773 0.321 . . . . 0.0 110.363 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -156.18 121.79 4.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.869 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 72' ' ' ARG . 0.5 OUTLIER -128.22 161.06 30.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.544 179.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 pt -145.15 164.56 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.804 0.335 . . . . 0.0 110.32 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -109.53 121.84 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.051 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.35 117.25 32.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.708 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.6 152.48 21.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.061 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.2 p -112.66 159.93 18.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.429 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.49 -47.17 66.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.835 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.5 p -61.52 -20.09 62.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.796 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.36 47.2 2.05 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.09 130.55 53.97 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 m -92.31 125.54 37.02 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.692 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.1 mt -132.73 133.85 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.623 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.4 m -110.22 128.38 55.47 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.566 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.61 141.79 47.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.483 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.58 94.62 9.09 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 m -129.11 160.09 40.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.635 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -73.25 150.43 42.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.251 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 29.5 m -66.17 -13.16 59.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.748 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.58 ' HA ' ' H ' ' A' ' 66' ' ' SER . 82.7 p -119.81 3.42 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.765 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.38 172.12 0.07 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.4 p -99.09 162.13 13.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.206 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.404 HG22 HD11 ' A' ' 32' ' ' ILE . 45.5 mm -57.37 -37.54 57.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.79 -47.09 64.36 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.141 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.66 -44.13 97.03 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.668 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -59.4 -45.93 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.527 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' C ' ' HB3' ' A' ' 47' ' ' PRO . 47.3 mttt -62.61 -59.21 5.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.074 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.8 p -48.47 -45.29 36.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.938 0.399 . . . . 0.0 110.071 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -30.06 64.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.848 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -65.84 -48.13 83.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.494 179.53 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.466 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -67.39 -18.46 65.13 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.275 -179.654 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.09 -38.07 53.07 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -88.28 -36.47 16.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.012 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 45' ' ' ILE . 7.9 mp0 -115.34 8.28 15.35 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 66.64 -51.26 0.21 Allowed Glycine 0 CA--C 1.53 0.991 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.955 178.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' GLU . 83.7 mt -38.2 127.37 1.04 Allowed Pre-proline 0 CA--C 1.532 0.288 0 C-N-CA 122.351 0.26 . . . . 0.0 111.187 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 2.6 Cg_endo -44.6 142.47 4.73 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 123.056 2.504 . . . . 0.0 112.544 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 3.1 Cg_exo -69.72 -39.62 6.36 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.652 2.235 . . . . 0.0 111.925 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.23 -33.73 75.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.71 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.424 HE21 ' HB2' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -65.03 -10.72 32.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.832 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -116.18 161.87 18.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.913 0.387 . . . . 0.0 110.699 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.629 ' HE ' ' HE ' ' A' ' 81' ' ' ARG . 4.9 mtt-85 -137.44 162.33 33.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.54 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.98 112.0 17.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.965 0.412 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.6 mp -114.92 123.77 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.29 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -151.18 138.95 19.78 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.937 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.66 39.07 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.479 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.542 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 66.65 -4.0 3.3 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.313 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -112.3 125.39 54.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.907 0.384 . . . . 0.0 110.704 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -71.15 130.78 42.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.647 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.0 mt -89.26 149.94 22.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.558 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -129.43 168.85 15.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -56.33 -32.68 64.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.55 -20.86 79.7 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -72.96 149.98 42.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.802 0.334 . . . . 0.0 110.585 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.35 162.36 16.16 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.606 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 28' ' ' SER . 9.1 mt -72.4 -45.79 58.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.368 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.58 ' H ' ' HA ' ' A' ' 29' ' ' SER . 43.6 t -68.02 -10.19 51.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -57.44 -20.67 31.93 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.993 0.425 . . . . 0.0 110.376 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -126.16 1.89 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.4 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 76.67 37.66 0.3 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.707 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.9 mt -77.46 95.32 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.167 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.38 -129.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.057 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -101.78 -47.08 4.72 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.372 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -77.76 48.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.749 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 m -110.0 139.2 45.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.769 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.4 m -94.64 100.16 12.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mp -81.35 121.76 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.722 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -91.13 111.87 23.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.029 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.454 ' HG ' ' N ' ' A' ' 79' ' ' VAL . 1.2 tt -115.64 148.26 39.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.231 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.454 ' N ' ' HG ' ' A' ' 78' ' ' LEU . 22.6 m -121.7 127.91 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.87 138.17 31.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.795 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.629 ' HE ' ' HE ' ' A' ' 51' ' ' ARG . 10.9 mtt-85 -87.76 -157.33 0.4 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.389 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.67 105.16 8.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.364 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.2 19.61 20.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.679 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.65 -21.43 43.22 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.06 -53.91 39.02 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 77.3 p -158.0 150.21 22.14 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -28.69 49.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.007 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.57 -2.11 32.83 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.02 -89.91 0.78 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.78 -70.66 0.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.755 0.312 . . . . 0.0 110.825 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.81 151.93 37.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.773 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -154.55 37.36 0.42 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.197 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 56.86 57.73 4.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.536 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.446 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.1 mm-40 166.05 -87.46 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.256 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 97' ' ' ILE . 8.9 pt-20 -48.06 -31.33 5.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.991 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.446 HD23 ' H ' ' A' ' 94' ' ' GLU . 0.8 OUTLIER -39.99 -24.4 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.265 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 95' ' ' GLU . 2.5 mt -87.62 -63.64 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.762 0.315 . . . . 0.0 110.818 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -63.19 -32.55 73.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.453 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 6.5 ptmm? -75.43 -28.41 59.34 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.493 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.06 -25.24 59.72 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.448 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 18.4 mt -79.41 -31.74 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 3.1 tt0 -90.98 -10.09 43.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.44 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -94.32 -73.31 0.58 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.321 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.8 p -98.99 -9.38 24.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.542 ' HG ' ' H ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER -92.66 -47.46 7.08 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.973 -178.21 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -62.51 -23.99 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.762 -179.447 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -60.39 -34.8 74.44 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.052 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.7 t -74.68 -40.89 61.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.368 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.414 HH11 ' C ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -68.68 -38.45 80.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -55.56 -50.3 70.41 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.279 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.8 p -78.45 -14.78 59.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.227 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -66.42 -27.71 73.26 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.63 -51.76 31.79 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.108 179.49 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 mtp . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -70.02 164.41 24.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.644 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.72 154.58 42.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.584 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -167.46 72.66 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.229 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 59.21 177.71 0.08 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.808 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -168.08 138.45 2.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -88.42 46.43 1.38 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.388 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.42 -114.29 3.85 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.448 ' CG ' ' H ' ' A' ' 10' ' ' PHE . 1.3 pt-20 -173.38 -101.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.448 ' H ' ' CG ' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -158.38 165.98 33.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.274 0.559 . . . . 0.0 110.95 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -61.65 114.02 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.663 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.6 pt -73.8 179.0 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.692 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -119.2 128.66 54.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.732 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.29 132.01 56.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.721 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 5.9 ttpt -122.58 118.1 27.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.91 0.386 . . . . 0.0 111.023 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.633 ' HG1' ' H ' ' A' ' 20' ' ' LYS . 41.0 p -68.29 169.0 11.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.496 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 96' ' ' LEU . 27.3 tp -66.14 -22.62 66.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.471 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -79.69 -20.44 46.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.701 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.15 42.75 2.34 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.633 ' H ' ' HG1' ' A' ' 16' ' ' THR . 19.3 tptm -102.94 124.97 49.44 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.2 121.3 27.75 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.4 mt -132.45 130.92 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.772 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 m -106.72 128.46 54.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.316 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.38 140.12 48.37 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -83.15 104.35 13.27 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 m -131.62 149.66 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.229 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -71.56 163.34 27.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.083 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.5 p -68.33 -21.74 64.73 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.767 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.549 ' HA ' ' H ' ' A' ' 66' ' ' SER . 26.8 t -114.73 4.15 14.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.421 -178.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.53 160.04 0.19 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.0 p -97.73 157.38 16.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 mm -53.18 -48.08 54.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.158 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -50.96 -45.4 60.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.281 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -64.03 -42.99 96.89 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.748 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -58.83 -46.53 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.604 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -63.54 -60.36 3.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.358 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.1 p -46.9 -49.74 19.92 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.88 0.372 . . . . 0.0 110.155 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.28 -37.52 36.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.86 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.487 HG22 HD13 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -66.15 -40.27 86.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.551 179.635 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -61.63 -27.75 68.89 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.758 0.313 . . . . 0.0 110.874 -179.719 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.7 -25.83 49.69 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.8 -45.21 10.51 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 114.515 -1.22 . . . . 0.0 111.822 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -123.02 10.56 9.45 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 76.48 -43.36 1.82 Allowed Glycine 0 CA--C 1.526 0.777 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.71 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.5 mm -35.03 118.48 0.58 Allowed Pre-proline 0 N--CA 1.466 0.347 0 CA-C-O 120.518 0.199 . . . . 0.0 111.3 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -69.4 138.82 39.93 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.421 2.081 . . . . 0.0 112.089 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -49.76 -36.17 41.25 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.971 2.448 . . . . 0.0 112.128 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.66 -37.83 82.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.372 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -73.53 -10.41 59.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.332 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -128.63 176.09 8.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.242 0.544 . . . . 0.0 111.717 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.485 HH12 HH21 ' A' ' 81' ' ' ARG . 0.0 OUTLIER -155.04 173.38 16.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.61 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -118.7 115.43 24.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.674 0.273 . . . . 0.0 111.099 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.98 116.01 51.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -134.54 135.77 42.57 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.902 0.382 . . . . 0.0 111.235 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.412 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 59.37 53.35 5.29 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.333 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 54.9 7.82 1.17 Allowed Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.425 -0.352 . . . . 0.0 112.43 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 55' ' ' ALA . 28.9 mmtm -124.61 132.2 53.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -72.14 129.34 38.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.935 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.6 mt -86.44 149.44 25.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.73 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.7 148.88 25.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.769 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -51.7 -18.42 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.571 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.27 -7.31 67.71 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.057 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 154.67 41.65 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 117.009 0.405 . . . . 0.0 110.428 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.0 p -116.18 165.57 13.0 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mt -81.36 -39.51 24.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.383 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.549 ' H ' ' HA ' ' A' ' 29' ' ' SER . 66.4 p -73.19 -10.52 59.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.267 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -55.15 -62.01 1.95 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.77 3.52 47.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.412 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.54 29.29 2.67 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.254 0.55 . . . . 0.0 109.957 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.7 mt -55.17 108.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.244 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -156.24 0.07 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.015 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.467 ' HG2' ' H ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -88.66 -44.83 10.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.682 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' H ' ' HG2' ' A' ' 72' ' ' ARG . 28.8 mm-40 -79.08 49.3 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 0.0 110.017 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.8 p -106.11 134.2 49.61 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.877 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.7 m -90.07 94.97 10.0 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.743 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.59 139.61 30.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.524 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.44 115.48 30.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 16' ' ' THR . 0.5 OUTLIER -103.38 133.56 48.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.553 -179.375 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.74 132.69 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.133 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.5 mt -117.55 129.96 56.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.485 HH21 HH12 ' A' ' 51' ' ' ARG . 3.9 ttm180 -73.55 125.47 28.04 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.312 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.534 ' N ' ' HG2' ' A' ' 93' ' ' GLU . 0.7 OUTLIER -73.13 71.61 1.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.135 0.493 . . . . 0.0 110.704 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -79.26 -12.99 59.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.508 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.93 164.78 54.89 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.0 -19.26 77.73 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 p -76.66 83.2 3.3 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.867 0.365 . . . . 0.0 110.537 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 32.0 mtt -69.31 -11.2 60.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.63 88.97 0.22 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 174.42 169.56 36.62 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.7 -51.74 65.99 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.764 0.316 . . . . 0.0 110.685 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.24 135.8 42.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.299 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -148.25 37.4 0.85 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.698 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.534 ' HG2' ' N ' ' A' ' 82' ' ' LEU . 3.8 mt-10 54.41 57.58 5.69 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.411 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.454 ' H ' HD23 ' A' ' 96' ' ' LEU . 3.7 tm-20 168.84 -85.35 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 97' ' ' ILE . 6.8 pt-20 -53.16 -35.82 60.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.198 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.454 HD23 ' H ' ' A' ' 94' ' ' GLU . 1.3 pt? -33.84 -28.08 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 95' ' ' GLU . 3.1 mt -95.42 -48.9 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.424 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.549 ' CG ' ' N ' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -53.66 -49.9 66.94 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -179.369 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.549 ' N ' ' CG ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -65.78 -70.54 0.23 Allowed 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' LYS . . . -33.87 -38.65 0.06 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.435 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 22.3 mt -66.27 -47.74 83.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 120.927 0.394 . . . . 0.0 110.391 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -87.45 -10.41 51.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.072 -179.274 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 99' ' ' LYS . 17.6 mt -90.21 -73.32 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.2 t -100.57 -10.4 21.04 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -90.96 -40.25 11.79 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.719 -178.078 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -21.61 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.846 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -20.48 60.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.607 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.9 t -59.23 -34.49 72.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.275 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -66.47 -37.43 85.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.287 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -65.63 -29.93 70.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.419 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.8 t -68.52 -23.08 64.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.502 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.09 7.02 54.76 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.8 -20.53 62.11 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.618 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tmm? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -159.27 -26.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.497 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.411 ' CD2' ' H ' ' A' ' 3' ' ' HIS . 0.3 OUTLIER -79.58 62.82 3.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.62 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -76.99 48.89 0.62 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.497 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -78.22 102.47 7.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.53 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.0 -29.05 0.23 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.98 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -94.74 135.7 35.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.66 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.71 156.56 9.7 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.43 -96.94 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -120.36 122.57 41.07 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.136 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -117.7 113.74 22.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.279 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.1 pt -74.38 176.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.0 134.87 53.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.866 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.34 135.45 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.343 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.7 ttpt -132.14 122.36 25.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.046 0.45 . . . . 0.0 110.98 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.4 p -78.77 175.4 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.765 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.19 -48.36 78.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.601 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 p -62.12 -17.91 59.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.711 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.27 43.63 3.43 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 10.7 tptp -90.58 111.21 22.43 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -81.45 118.55 22.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.635 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -131.34 128.06 60.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.387 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 m -105.62 128.07 53.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.44 137.34 47.23 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -82.36 103.9 12.26 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.778 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.2 m -130.52 172.71 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.447 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -87.0 153.68 21.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.933 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -64.31 -17.0 63.25 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.539 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.546 ' HA ' ' H ' ' A' ' 66' ' ' SER . 3.8 m -118.66 3.92 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.075 -178.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.89 162.87 0.07 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 110.621 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.3 p -96.77 158.96 15.18 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.462 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 mm -55.91 -46.67 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.424 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -48.06 -43.73 30.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.697 0.284 . . . . 0.0 110.661 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -37.86 88.5 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.77 -44.11 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.54 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -63.09 -64.28 0.96 Allowed 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.287 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.3 p -45.34 -53.27 8.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.888 0.375 . . . . 0.0 110.556 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.39 -35.54 19.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.338 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 40' ' ' GLN . 0.4 OUTLIER -64.57 -44.53 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.46 ' N ' HG23 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -62.06 -27.22 68.75 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-O 120.647 0.26 . . . . 0.0 111.286 -179.467 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 14.0 t70 -73.29 -31.42 64.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -91.91 -35.9 13.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.221 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -117.22 3.67 12.63 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.41 ' CA ' ' O ' ' A' ' 40' ' ' GLN . . . 74.29 -45.78 1.51 Allowed Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mm -41.04 117.07 1.48 Allowed Pre-proline 0 CA--C 1.531 0.248 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.08 143.75 17.62 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.603 2.202 . . . . 0.0 112.237 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -54.2 -40.93 80.0 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.671 2.247 . . . . 0.0 112.026 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.27 -36.03 82.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.176 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -17.98 64.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.272 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -109.39 152.43 25.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.1 0.476 . . . . 0.0 111.396 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.33 159.21 42.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.149 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mp -118.81 121.17 39.42 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.299 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -117.63 124.85 73.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.449 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -150.24 143.14 24.78 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.1 0.476 . . . . 0.0 111.465 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 64.12 53.4 1.82 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.99 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.09 5.8 1.62 Allowed Glycine 0 CA--C 1.528 0.845 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.618 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 55' ' ' ALA . 7.5 tttp -136.45 156.84 48.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.125 0.463 . . . . 0.0 111.048 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -84.04 127.57 33.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.297 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.5 mt -72.32 129.67 38.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.506 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -81.08 133.02 35.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.652 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -51.75 -27.53 12.34 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.585 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.3 -3.45 85.7 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -78.78 157.63 28.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.811 0.338 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.4 p -114.65 170.13 8.55 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 mt -74.84 -41.03 60.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.789 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.546 ' H ' ' HA ' ' A' ' 29' ' ' SER . 17.4 p -69.14 -10.13 56.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.659 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.77 -28.54 49.54 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.132 0.491 . . . . 0.0 109.959 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -126.24 -2.48 6.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.572 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 75.82 33.98 0.59 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.277 0.561 . . . . 0.0 109.76 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.9 mt -62.53 122.41 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.631 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -105.01 169.57 8.36 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 73' ' ' GLU . 2.3 ptt180 -49.62 -42.77 45.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' H ' ' HG3' ' A' ' 72' ' ' ARG . 31.0 mt-10 -78.79 46.83 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.231 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -124.07 149.6 45.96 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 m -105.02 104.34 14.06 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mp -82.67 132.88 35.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.766 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -94.33 106.04 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.6 tt -107.48 143.79 35.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.467 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.3 t -111.57 131.29 63.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.9 130.91 50.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -71.82 174.13 7.31 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.877 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.8 tp -99.87 109.47 21.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.183 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -57.9 -27.73 63.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.57 42.51 0.95 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.43 19.64 7.56 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.6 t 56.25 85.38 0.07 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.918 0.39 . . . . 0.0 110.727 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -51.09 71.27 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.414 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.02 -36.2 0.66 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.9 -20.76 0.88 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.44 -71.86 0.19 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.682 0.277 . . . . 0.0 110.375 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.47 130.99 47.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.215 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -149.78 39.89 0.8 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 0.5 OUTLIER 48.73 74.34 0.18 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.761 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 15.8 tt0 149.76 -76.29 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.301 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -64.94 -9.99 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.217 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.476 ' CD1' ' H ' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -74.02 -10.76 59.97 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.952 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.5 mt -92.19 -52.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.3 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -64.82 -33.65 76.49 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 0.2 OUTLIER -74.56 -29.3 61.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.646 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.06 -33.39 50.92 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.497 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 7.5 mt -64.96 -37.78 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.601 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 2.8 tp10 -92.64 -10.2 38.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.142 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.5 OUTLIER -88.38 -74.4 0.46 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.117 -178.624 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.5 m -100.34 -11.35 20.37 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.497 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 5.3 mp -91.0 -40.74 11.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.704 -178.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -34.89 -29.48 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -178.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 105' ' ' LEU . 37.0 tt0 -50.3 -35.13 26.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.755 0.312 . . . . 0.0 110.612 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.7 t -69.84 -31.23 68.97 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.7 ttt-85 -61.89 -17.75 57.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.624 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -52.91 -42.54 65.47 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.538 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.3 p -80.52 -38.67 29.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.503 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.93 22.14 19.76 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.94 -66.81 2.25 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.002 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -68.97 123.42 20.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -66.44 -55.91 13.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.552 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 m80 60.03 -177.65 0.1 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -159.04 170.47 21.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.689 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -114.37 179.71 3.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.303 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -97.59 83.69 3.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.37 -171.02 51.86 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.471 -0.651 . . . . 0.0 111.471 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -147.37 -124.16 0.06 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -124.35 122.97 39.17 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.786 0.327 . . . . 0.0 110.202 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' HA ' ' HA ' ' A' ' 25' ' ' GLU . 12.4 pt20 -123.03 120.58 33.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.437 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.402 HG22 HD12 ' A' ' 12' ' ' ILE . 31.8 pt -83.5 -171.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.679 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -124.22 133.55 53.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.303 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.47 140.89 52.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.102 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.2 ttpp -128.05 117.92 22.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.1 p -66.18 170.27 6.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.614 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.55 ' CD1' ' HZ2' ' A' ' 99' ' ' LYS . 3.1 tm? -57.7 -46.3 84.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.919 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -61.92 -21.06 64.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.65 42.45 2.49 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 10.0 ttmt -98.97 125.06 44.34 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.28 125.13 32.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 mt -133.19 129.51 57.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.278 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 m -107.4 125.78 51.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.538 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.622 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -132.71 141.96 48.82 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -78.46 106.43 10.4 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.565 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.66 148.34 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.5 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.11 158.76 35.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.873 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 20.9 t -66.61 -17.48 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.257 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.563 ' HA ' ' H ' ' A' ' 66' ' ' SER . 59.6 p -117.71 4.17 12.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.209 -178.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -47.41 159.64 0.13 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.765 0.317 . . . . 0.0 110.518 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.8 p -94.65 158.49 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.242 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.0 mm -55.02 -46.56 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.425 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -44.96 -46.21 10.94 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.659 0.266 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.44 -36.81 84.97 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.858 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.88 -44.72 96.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.693 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HA ' ' NE2' ' A' ' 50' ' ' GLN . 20.6 mtmm -65.68 -64.11 0.94 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.448 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -49.64 -53.1 26.15 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.776 0.322 . . . . 0.0 110.368 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -35.16 22.0 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -43.35 97.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.9 pt20 -59.33 -26.65 65.21 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-O 120.861 0.363 . . . . 0.0 110.501 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.59 -29.42 63.5 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -89.73 -38.94 13.48 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.294 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' A' ' 45' ' ' ILE . 21.3 mt-10 -122.93 8.6 9.33 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.19 -38.07 0.67 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.575 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.499 ' H ' ' C ' ' A' ' 43' ' ' GLU . 18.2 mt -42.72 114.59 1.52 Allowed Pre-proline 0 CA--C 1.532 0.267 0 CA-C-O 120.578 0.228 . . . . 0.0 111.578 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 2.4 Cg_endo -50.12 143.57 24.88 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.898 2.399 . . . . 0.0 112.123 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -52.36 -29.54 39.38 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.596 2.197 . . . . 0.0 112.061 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.1 -45.42 34.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.374 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -23.63 54.82 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.141 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -109.17 157.33 18.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.853 0.358 . . . . 0.0 110.641 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.439 ' NH2' HH12 ' A' ' 81' ' ' ARG . 0.1 OUTLIER -131.86 165.16 24.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.812 179.729 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.55 112.23 16.6 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.72 0.295 . . . . 0.0 110.478 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.8 mp -112.49 126.01 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -136.2 131.12 34.18 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.917 0.389 . . . . 0.0 111.219 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 60.62 61.69 1.66 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.174 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.48 ' H ' ' CD1' ' A' ' 105' ' ' LEU . . . 51.4 9.91 0.48 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.949 178.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HZ2' HH12 ' A' ' 63' ' ' ARG . 0.3 OUTLIER -134.66 142.07 46.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.137 0.468 . . . . 0.0 110.944 -179.591 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 129.57 38.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.977 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.8 mt -66.61 -142.76 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.813 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 178.23 144.95 0.12 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.929 0.395 . . . . 0.0 111.046 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -49.03 -42.28 37.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.179 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.11 -7.19 66.37 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.485 HH12 ' HZ2' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -84.26 152.42 24.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.816 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.5 p -114.57 169.08 9.32 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.636 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' ASP . 7.2 mt -72.42 -41.54 66.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.695 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.563 ' H ' ' HA ' ' A' ' 29' ' ' SER . 29.6 t -66.66 -9.77 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.693 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.48 -23.39 62.71 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.055 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -125.68 -6.49 6.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.207 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 m120 74.94 43.51 0.22 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.354 0.597 . . . . 0.0 109.444 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG22 HD13 ' A' ' 70' ' ' ILE . 37.1 mm -66.42 117.6 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.668 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -95.39 167.42 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.404 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -44.53 69.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.143 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.8 50.25 1.78 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.828 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 t -117.86 147.76 42.77 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.772 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 m -105.53 101.27 10.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.205 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mp -85.07 120.79 26.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.055 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -78.52 106.99 10.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.0 tt -98.97 132.98 43.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.706 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 t -96.17 125.84 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.87 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 tp -112.18 116.66 30.82 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.439 HH12 ' NH2' ' A' ' 51' ' ' ARG . 1.2 ptm180 -75.93 161.35 29.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.369 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.96 124.66 28.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.01 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.06 -7.7 22.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.324 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.93 77.39 1.1 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.3 108.97 0.23 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.8 t 56.0 80.04 0.15 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.5 ttp -70.78 -45.77 64.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.25 -82.77 0.88 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.94 -21.16 0.13 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.92 -72.03 0.15 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.67 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -99.72 150.37 22.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.252 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -150.88 40.57 0.73 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.804 0.335 . . . . 0.0 110.802 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 94' ' ' GLU . 0.5 OUTLIER 50.96 70.15 0.56 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.926 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 93' ' ' GLU . 2.5 tm-20 165.31 -83.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 96' ' ' LEU . 1.3 pm0 -56.53 -34.18 66.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.282 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 96' ' ' LEU . 1.3 pt? -34.64 -31.42 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -178.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.4 mt -74.01 -59.86 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.837 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -65.48 -28.82 69.48 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.55 ' HZ2' ' CD1' ' A' ' 17' ' ' LEU . 14.5 ttpp -70.63 -38.25 73.88 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.011 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.461 ' HA ' HD23 ' A' ' 103' ' ' LEU . . . -73.01 -18.15 61.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.634 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 106' ' ' LYS . 29.8 mt -89.54 -33.46 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.064 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -91.22 -11.79 37.21 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 104' ' ' SER . 3.2 pp -95.6 -67.72 0.84 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 119.404 -0.918 . . . . 0.0 112.75 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.556 ' N ' ' CD1' ' A' ' 103' ' ' LEU . 5.4 m -98.79 -15.65 19.2 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.48 ' CD1' ' H ' ' A' ' 56' ' ' GLY . 0.5 OUTLIER -93.57 -35.02 13.11 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.583 -178.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -33.89 -35.36 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.077 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 105' ' ' LEU . 12.5 tp10 -45.45 -44.54 12.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.731 0.3 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.1 p -60.52 -45.74 92.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.622 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -60.29 -45.71 92.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.311 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -63.64 -38.81 92.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.319 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 55.3 m -67.03 -25.5 66.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.365 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -77.31 -8.0 86.97 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.84 88.72 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.274 179.915 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 66.56 -74.42 0.06 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.726 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -74.8 117.94 17.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.44 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -68.64 -39.05 80.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.691 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -66.66 116.42 7.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.293 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -84.67 145.22 28.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.467 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -74.97 165.48 25.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.6 -34.07 0.02 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -157.86 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.66 0.267 . . . . 0.0 110.369 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.97 122.6 40.5 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -116.71 113.43 22.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.293 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 pt -68.14 165.62 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.481 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -106.35 118.49 36.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.797 178.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.71 120.17 41.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.658 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.552 ' HG3' ' N ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -105.15 155.1 19.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.994 179.324 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.553 ' HG1' ' H ' ' A' ' 20' ' ' LYS . 73.1 p -112.61 167.24 10.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.141 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.24 -48.97 73.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.972 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.3 p -61.12 -19.93 62.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.03 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.39 35.78 4.85 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.821 -0.512 . . . . 0.0 111.821 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.553 ' H ' ' HG1' ' A' ' 16' ' ' THR . 0.5 OUTLIER -89.74 140.32 29.7 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.386 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.408 ' CG2' ' CE1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -97.05 121.63 39.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 110.984 -179.569 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.1 mt -133.56 133.85 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 84.6 m -112.9 133.56 54.82 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.828 0.347 . . . . 0.0 111.158 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.33 138.4 46.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.589 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.37 105.2 14.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.779 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.4 m -137.33 165.16 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.159 0.504 . . . . 0.0 111.736 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -78.53 158.83 28.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.835 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.6 p -68.6 -17.16 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.099 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.583 ' HA ' ' H ' ' A' ' 66' ' ' SER . 1.1 m -116.81 3.66 12.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.434 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.33 163.32 0.17 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.635 0.255 . . . . 0.0 110.541 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.5 p -97.16 160.57 14.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.152 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 mm -52.24 -43.19 38.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -48.08 -45.32 32.39 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.373 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -64.04 -38.98 93.04 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.735 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.04 -48.24 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.708 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -61.25 -59.36 5.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.072 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.5 p -47.29 -47.18 25.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.216 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -52.02 -38.18 55.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.057 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.471 HG23 HD11 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -64.38 -44.13 97.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.536 179.56 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.3 pt20 -60.93 -29.85 69.86 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.592 0.234 . . . . 0.0 111.388 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.78 -25.96 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.507 ' HD3' ' N ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -92.22 -40.24 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.93 -178.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 45' ' ' ILE . 13.3 mp0 -122.37 7.5 9.61 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 73.87 -40.43 0.99 Allowed Glycine 0 CA--C 1.531 1.034 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.09 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.429 ' H ' ' C ' ' A' ' 43' ' ' GLU . 27.8 mt -37.78 124.34 0.98 Allowed Pre-proline 0 N--CA 1.467 0.377 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -54.82 132.45 51.99 Favored 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.685 2.257 . . . . 0.0 111.494 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -48.92 -43.95 33.75 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 122.846 2.364 . . . . 0.0 112.617 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -63.62 -28.4 69.89 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.999 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -69.7 -12.29 61.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.078 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.15 157.5 19.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.165 0.507 . . . . 0.0 111.581 -179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.1 161.81 33.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.27 -0.877 . . . . 0.0 108.744 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.94 111.2 16.78 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.768 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.8 mp -112.55 121.51 65.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -136.55 136.2 39.11 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.942 0.401 . . . . 0.0 110.777 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 55.59 55.92 6.75 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.304 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.38 5.54 0.78 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.505 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 55' ' ' ALA . 52.7 tttm -121.42 135.56 55.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 117.069 0.435 . . . . 0.0 110.911 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -77.99 127.0 31.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.058 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.7 mt -83.38 146.57 28.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.712 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -101.03 148.1 25.43 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.458 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.15 -30.62 11.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.63 -5.76 69.5 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.22 155.68 28.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.8 0.333 . . . . 0.0 110.728 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -114.06 176.44 5.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.713 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mt -85.01 -39.53 17.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.689 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.583 ' H ' ' HA ' ' A' ' 29' ' ' SER . 46.0 t -69.53 -9.82 55.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.001 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.99 -61.91 1.87 Allowed 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -93.09 2.13 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.394 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 78.23 52.09 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.168 0.509 . . . . 0.0 110.273 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.4 mt -82.65 122.6 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -102.98 -125.98 0.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.442 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -102.06 -41.41 6.44 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.818 0.342 . . . . 0.0 110.731 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -82.43 36.54 0.48 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.6 p -95.52 125.96 40.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.364 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.8 m -88.29 93.81 9.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 0.0 110.265 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 mp -84.79 155.8 21.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.683 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -121.28 111.02 16.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.613 179.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 tp -99.91 130.24 46.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.289 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.8 t -104.64 126.86 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.292 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.9 mt -99.23 114.3 27.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.66 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -77.19 154.87 32.68 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.643 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.89 135.14 38.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.568 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.74 -28.02 16.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.686 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.33 -157.22 27.92 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.18 -119.87 19.64 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.9 t -75.6 147.94 39.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.7 0.286 . . . . 0.0 110.451 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -7.8 59.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.648 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.77 -72.79 2.18 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.98 -113.84 0.48 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.67 -44.89 95.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.791 0.329 . . . . 0.0 110.255 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.45 ' N ' ' HZ3' ' A' ' 99' ' ' LYS . . . -72.99 138.32 45.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.286 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.418 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 10.6 m-20 -147.96 43.52 1.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.597 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 73.11 -57.68 0.63 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.802 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -91.45 -58.01 2.58 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.393 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 97' ' ' ILE . 2.8 mm-40 -50.57 -50.22 54.2 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.521 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' A' ' 97' ' ' ILE . 0.8 OUTLIER -35.12 -22.66 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.042 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.56 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.9 mt -84.75 -53.86 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.015 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 7.6 ptm180 -60.89 -41.7 96.55 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.619 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' HZ3' ' N ' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -76.4 -26.59 55.74 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.063 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.481 ' HA ' HD21 ' A' ' 103' ' ' LEU . . . -70.41 -25.24 63.13 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.498 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 31.0 mt -83.59 -30.82 8.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.996 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.71 -12.42 31.45 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.567 ' CD1' ' H ' ' A' ' 104' ' ' SER . 2.9 pp -96.28 -69.93 0.74 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 119.161 -1.015 . . . . 0.0 113.249 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.567 ' H ' ' CD1' ' A' ' 103' ' ' LEU . 32.0 t -99.99 -10.61 21.42 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 3.6 mm? -93.35 -41.88 9.6 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -177.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.444 ' C ' ' CD ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -53.96 -24.86 18.01 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.993 -179.368 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -61.31 -23.92 66.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.5 p -48.55 -42.63 34.03 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -74.46 -37.62 63.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.581 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -80.0 3.96 18.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.998 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.3 m -73.63 -25.58 60.37 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.66 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.59 -18.88 57.26 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.04 -6.91 55.33 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.774 -1.108 . . . . 0.0 110.798 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.816 0.341 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.424 HG12 HG22 ' A' ' 26' ' ' VAL . 12.6 pt -142.95 169.03 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.143 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -123.56 132.16 53.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.042 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.37 137.8 54.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.828 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.43 116.55 22.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.564 HG22 HD22 ' A' ' 78' ' ' LEU . 68.3 p -63.26 167.4 5.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.036 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 17' ' ' LEU . 3.4 tm? -57.11 -42.27 80.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.02 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.2 p -64.81 -16.88 63.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.399 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.46 21.39 11.56 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 121.237 -0.506 . . . . 0.0 111.968 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -81.6 124.24 29.37 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 m -86.14 126.94 34.59 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.853 0.359 . . . . 0.0 110.958 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.652 HD13 HD11 ' A' ' 39' ' ' ILE . 17.2 mt -133.33 129.04 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.62 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.7 m -107.7 126.74 52.97 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.431 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.487 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -131.75 140.65 49.3 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 5.9 mp0 -83.24 107.99 16.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.527 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.637 HG12 ' CD ' ' A' ' 38' ' ' LYS . 4.6 m -126.14 -172.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.404 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.694 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.9 mm-40 -107.15 158.41 17.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.694 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 65.0 p -60.77 -21.44 63.04 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.705 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.593 ' HA ' ' H ' ' A' ' 66' ' ' SER . 58.7 p -116.35 4.76 13.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.468 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.529 ' HB2' ' H ' ' A' ' 27' ' ' GLU . 6.9 t70 -40.09 148.77 0.07 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.694 0.283 . . . . 0.0 110.973 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.1 p -99.25 163.25 12.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.383 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.439 HG22 ' HG3' ' A' ' 36' ' ' LYS . 31.9 mm -52.26 -54.36 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.311 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.86 -43.52 18.71 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.809 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -69.18 -40.41 78.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.302 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.12 -47.71 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.788 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HG3' HG22 ' A' ' 32' ' ' ILE . 36.7 mtmt -59.66 -64.79 0.82 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.724 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -46.22 -47.5 17.9 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.929 0.395 . . . . 0.0 110.376 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.637 ' CD ' HG12 ' A' ' 26' ' ' VAL . 30.8 mttm -50.14 -35.83 27.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.77 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.652 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -67.48 -40.17 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.135 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.31 -32.59 64.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.696 0.284 . . . . 0.0 110.65 -179.484 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 15.8 t70 -72.79 -20.99 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.69 -46.47 7.56 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.318 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -118.78 6.11 11.51 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.25 -39.45 1.87 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.478 HG21 ' CD2' ' A' ' 80' ' ' LEU . 7.1 mm -39.58 125.19 1.46 Allowed Pre-proline 0 N--CA 1.464 0.244 0 CA-C-O 120.501 0.191 . . . . 0.0 111.229 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.2 Cg_exo -70.04 142.81 47.68 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 122.409 2.073 . . . . 0.0 112.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -52.94 -40.37 76.07 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.641 2.228 . . . . 0.0 112.316 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.68 -22.25 66.35 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.786 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -97.42 -12.3 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.632 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.585 ' OE1' HD21 ' A' ' 78' ' ' LEU . 12.5 mm-40 -99.1 135.21 40.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.47 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.641 ' HB3' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -117.49 150.42 38.95 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.098 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -123.25 117.95 26.48 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.328 -179.238 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.406 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.4 mp -116.83 126.66 74.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.469 ' HB2' HD11 ' A' ' 59' ' ' LEU . 24.2 t90 -145.71 139.92 26.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.954 0.407 . . . . 0.0 110.867 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 58.01 53.11 7.05 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.288 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.689 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 56.26 2.45 0.42 Allowed Glycine 0 CA--C 1.531 1.072 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.693 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 55' ' ' ALA . 15.4 ttmt -121.64 144.33 48.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 117.178 0.489 . . . . 0.0 111.177 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -79.35 120.74 24.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.638 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 54' ' ' TRP . 57.8 mt -71.07 125.91 28.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.924 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' H ' ' HG3' ' A' ' 63' ' ' ARG . 1.6 mt-10 -82.4 138.86 34.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.942 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -44.68 -24.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.06 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.12 4.97 85.39 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 121.285 -0.483 . . . . 0.0 112.03 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HG3' ' H ' ' A' ' 60' ' ' GLU . 11.9 mmt85 -82.09 153.42 26.1 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.3 p -116.89 168.21 10.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.641 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 27' ' ' GLU . 6.3 mt -75.94 -42.13 49.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.152 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.593 ' H ' ' HA ' ' A' ' 29' ' ' SER . 41.5 p -73.1 -9.94 59.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.202 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.25 -61.91 1.97 Allowed 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -87.35 3.47 46.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.49 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 t30 73.82 27.88 1.64 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.12 0.486 . . . . 0.0 109.76 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.9 mt -56.28 112.81 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.525 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -70.71 -150.29 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.274 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.1 ptm85 -99.83 -39.04 8.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.732 0.301 . . . . 0.0 110.385 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -81.95 55.03 2.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.258 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.9 p -114.95 148.03 39.26 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.6 m -99.23 98.04 9.06 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.024 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mp -78.51 96.75 5.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.575 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.43 109.84 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.027 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.585 HD21 ' OE1' ' A' ' 50' ' ' GLN . 5.9 tt -105.6 143.08 34.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.226 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.641 HG23 ' HB3' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -125.14 119.5 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.957 0.408 . . . . 0.0 110.401 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.478 ' CD2' HG21 ' A' ' 45' ' ' ILE . 10.9 mt -75.39 117.99 17.8 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.749 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.431 ' NE ' ' HB2' ' A' ' 51' ' ' ARG . 6.0 mtt85 . . . . . 0 N--CA 1.462 0.153 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.733 0.302 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.405 ' HB2' ' CD ' ' A' ' 95' ' ' GLU . 1.7 m-20 -134.99 -78.79 0.44 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.298 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.446 ' HA ' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -146.79 -43.91 0.18 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -105.41 -41.66 5.45 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.626 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.405 ' CD ' ' HB2' ' A' ' 92' ' ' ASP . 0.6 OUTLIER -66.74 -11.59 55.25 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.181 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 97' ' ' ILE . 1.1 pp -78.65 -10.3 59.7 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.764 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.7 mt -90.49 -55.96 5.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.495 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -59.57 -33.84 71.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.552 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -80.6 -36.22 33.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.988 -179.645 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -65.95 -19.62 65.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.069 0.461 . . . . 0.0 109.825 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.689 HG23 ' HA2' ' A' ' 56' ' ' GLY . 74.1 mt -94.11 -28.55 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.29 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.02 -11.93 31.88 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -178.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.823 HD12 ' N ' ' A' ' 104' ' ' SER . 2.6 pp -96.1 -70.22 0.72 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.363 -0.935 . . . . 0.0 112.849 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.823 ' N ' HD12 ' A' ' 103' ' ' LEU . 18.6 m -98.65 -12.09 21.41 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.503 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 C-N-CA 120.721 -0.391 . . . . 0.0 111.924 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.921 0.391 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.499 HD12 HD13 ' A' ' 76' ' ' LEU . 29.7 pt -73.0 173.65 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.166 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -126.3 140.03 52.84 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.952 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.3 150.76 50.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.4 ttpp -131.58 120.86 23.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.568 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -69.66 173.28 6.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.753 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.669 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -58.7 -47.08 85.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.206 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -62.24 -21.73 65.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.59 42.12 2.39 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.006 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -94.26 124.96 38.6 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.112 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -87.21 116.57 25.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.4 mt -132.65 136.08 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.467 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 m -106.39 137.5 44.25 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.527 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -127.07 131.59 50.86 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.016 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.06 94.09 6.52 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.169 0.509 . . . . 0.0 110.052 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.77 HG12 ' HD2' ' A' ' 38' ' ' LYS . 4.6 m -119.29 -169.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.062 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.72 ' O ' HD12 ' A' ' 65' ' ' LEU . 47.6 mm-40 -111.02 154.12 24.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.256 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.4 p -57.19 -23.04 44.97 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.153 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.628 ' HA ' ' H ' ' A' ' 66' ' ' SER . 82.9 p -116.41 4.35 13.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.885 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' H ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -46.1 158.58 0.09 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.68 0.276 . . . . 0.0 110.88 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -91.41 149.06 21.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.369 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.406 ' HA ' HD13 ' A' ' 32' ' ' ILE . 31.3 mm -53.12 -47.55 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.471 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.61 -43.8 46.74 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.562 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -66.05 -39.62 90.27 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.927 0.394 . . . . 0.0 109.938 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.48 -43.65 83.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 47' ' ' PRO . 21.8 mtpt -61.81 -59.6 4.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.138 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 40' ' ' GLN . 12.1 t -49.7 -50.64 43.09 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.011 0.434 . . . . 0.0 110.22 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.77 ' HD2' HG12 ' A' ' 26' ' ' VAL . 35.2 mttm -49.02 -34.27 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.731 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -40.22 82.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.92 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.3 pp0? -56.26 -28.89 60.16 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.799 0.333 . . . . 0.0 110.209 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 27.0 t70 -71.75 -23.6 61.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -92.1 -42.63 9.83 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.092 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' A' ' 45' ' ' ILE . 36.8 mt-10 -120.28 7.19 10.7 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.07 -39.13 1.15 Allowed Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.433 ' H ' ' C ' ' A' ' 43' ' ' GLU . 16.8 mm -37.13 128.89 0.78 Allowed Pre-proline 0 N--CA 1.464 0.239 0 C-N-CA 122.236 0.214 . . . . 0.0 111.213 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -65.97 137.65 49.54 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 C-N-CA 122.159 1.906 . . . . 0.0 111.649 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 2.6 Cg_endo -48.73 -42.89 35.88 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 122.878 2.385 . . . . 0.0 112.609 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.51 -28.79 69.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.976 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -73.82 -13.94 61.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.306 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.699 ' HB3' HD11 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -107.21 149.83 27.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.057 0.456 . . . . 0.0 111.596 -179.127 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HB2' ' CG2' ' A' ' 79' ' ' VAL . 4.1 mmp_? -127.57 147.77 50.34 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.553 ' C ' HD12 ' A' ' 53' ' ' ILE . 4.1 mm? -111.04 113.43 25.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.862 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.553 HD12 ' C ' ' A' ' 52' ' ' LEU . 2.0 mp -114.87 122.35 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.967 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.515 ' CB ' HD11 ' A' ' 59' ' ' LEU . 71.7 t-105 -132.44 132.34 42.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.914 0.388 . . . . 0.0 110.735 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 53.79 61.23 3.19 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.598 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 55.33 3.43 0.37 Allowed Glycine 0 CA--C 1.53 1.015 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.934 178.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 55' ' ' ALA . 25.6 mttm -118.49 142.15 47.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 117.228 0.514 . . . . 0.0 110.984 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.4 125.85 33.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.365 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.515 HD11 ' CB ' ' A' ' 54' ' ' TRP . 7.8 mt -83.03 144.64 29.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.675 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.0 140.71 29.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.561 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -55.47 -24.03 28.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.205 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.79 -9.6 86.8 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -74.74 164.44 26.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.39 . . . . 0.0 111.189 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.0 p -116.76 169.41 9.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.161 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.0 mt -75.43 -42.02 54.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.826 -179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.628 ' H ' ' HA ' ' A' ' 29' ' ' SER . 55.5 p -77.67 -10.64 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -60.17 3.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.83 1.0 48.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.5 t30 67.2 35.15 4.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.304 0.573 . . . . 0.0 109.9 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.3 mt -57.32 -22.39 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.942 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 53.49 -156.95 0.18 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.797 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 11.0 ptt85 -101.95 -52.05 3.26 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.154 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 3.2 pt-20 -75.59 63.21 1.51 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.129 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t -131.64 151.9 51.25 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.5 m -99.17 103.14 15.01 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.841 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.499 HD13 HD12 ' A' ' 12' ' ' ILE . 3.9 mp -84.42 96.2 9.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.65 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.2 117.23 10.57 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.204 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.699 HD11 ' HB3' ' A' ' 50' ' ' GLN . 7.3 tt -115.01 151.97 33.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.287 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 51' ' ' ARG . 30.4 m -130.18 127.43 63.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.938 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -85.12 127.86 34.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.196 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 . . . . . 0 N--CA 1.463 0.21 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.756 179.9 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -88.23 -86.43 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.003 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.639 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.4 tt0 -140.63 -40.12 0.42 Allowed 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.385 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -111.99 -43.09 3.63 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.848 0.356 . . . . 0.0 110.803 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -63.73 -9.85 16.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.639 HD22 ' O ' ' A' ' 93' ' ' GLU . 0.9 OUTLIER -73.7 -10.49 59.74 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.552 ' N ' HD23 ' A' ' 96' ' ' LEU . 3.8 mt -95.87 -51.18 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -66.18 -33.52 75.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.121 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 0.4 OUTLIER -75.38 -38.73 59.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.474 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.529 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -72.92 -29.06 62.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.983 0.421 . . . . 0.0 110.118 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.473 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 5.7 mt -70.0 -39.88 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.381 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -93.19 -10.8 34.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.058 -0.973 . . . . 0.0 112.139 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 13.1 mt -89.4 -74.44 0.48 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.275 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.3 m -100.27 -10.38 21.37 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 1.2 mm? . . . . . 0 C--N 1.325 -0.475 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.198 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.604 0.24 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.4 pt -79.75 -177.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.074 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -126.03 136.22 52.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.246 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.05 137.48 53.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.955 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.7 ttpp -127.55 115.53 18.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.8 p -68.14 167.5 14.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.174 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.699 HD11 HD21 ' A' ' 103' ' ' LEU . 12.4 tp -66.36 -16.95 64.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.293 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -85.48 -19.94 30.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.378 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.66 44.55 1.94 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.99 -0.444 . . . . 0.0 111.99 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 29.4 tptp -105.13 115.37 30.16 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -82.94 123.4 29.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 39' ' ' ILE . 35.4 mt -131.68 128.31 60.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -102.83 127.39 50.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.22 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -132.43 136.47 46.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.989 -179.52 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.96 97.71 5.42 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.189 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.2 m -131.13 -172.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.406 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.515 ' O ' HD12 ' A' ' 65' ' ' LEU . 4.5 mm-40 -106.28 156.93 17.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.062 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -66.2 -12.63 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.621 ' HA ' ' H ' ' A' ' 66' ' ' SER . 91.2 p -121.67 -0.14 9.74 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.02 124.65 10.46 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.431 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 17.9 p -53.91 157.42 2.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.668 0.271 . . . . 0.0 110.766 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 32' ' ' ILE . 29.1 mm -54.58 -42.23 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.37 -47.84 37.04 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.769 0.318 . . . . 0.0 110.253 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.37 -37.02 86.03 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.781 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.3 -48.93 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.454 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -62.15 -61.64 2.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.216 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.456 ' N ' ' HB3' ' A' ' 47' ' ' PRO . 21.7 t -48.45 -51.38 27.22 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.85 0.357 . . . . 0.0 110.258 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -48.96 -33.88 11.83 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.594 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -67.9 -42.41 85.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 179.283 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -58.83 -27.27 64.95 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.621 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 2.7 t70 -71.33 -27.24 63.24 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -92.32 -38.66 11.92 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.042 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -116.61 5.27 13.24 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 71.6 -44.05 0.77 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.09 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.483 ' HB ' HE22 ' A' ' 50' ' ' GLN . 93.2 mt -44.31 128.44 4.67 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 120.674 0.273 . . . . 0.0 111.473 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -52.05 139.0 52.8 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.095 2.53 . . . . 0.0 112.746 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.456 ' HB3' ' N ' ' A' ' 37' ' ' SER . 2.4 Cg_endo -54.05 -33.01 71.64 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.845 2.363 . . . . 0.0 112.368 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -70.77 -11.32 60.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.526 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -92.69 -12.44 31.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.953 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.483 HE22 ' HB ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.6 154.69 24.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.18 0.514 . . . . 0.0 111.326 -179.506 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -131.61 157.38 43.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.138 179.108 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.624 ' HB3' HD12 ' A' ' 59' ' ' LEU . 3.9 mm? -114.05 110.81 20.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.162 -0.311 . . . . 0.0 110.162 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.59 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -113.01 120.0 61.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.468 ' HB2' HD11 ' A' ' 59' ' ' LEU . 1.4 t90 -141.08 140.09 34.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.973 0.416 . . . . 0.0 110.765 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.514 ' H ' ' CD1' ' A' ' 105' ' ' LEU . . . 54.46 54.08 9.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.286 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.649 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 56.41 2.09 0.39 Allowed Glycine 0 CA--C 1.529 0.956 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.695 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 55' ' ' ALA . 3.5 mmmm -115.09 137.39 52.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.275 0.538 . . . . 0.0 111.254 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -82.16 125.58 31.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.944 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.624 HD12 ' HB3' ' A' ' 52' ' ' LEU . 9.5 mt -92.27 155.77 17.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.384 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -133.09 171.27 14.22 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.951 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -52.55 -35.8 54.35 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.813 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.96 -21.33 69.55 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -85.38 152.87 22.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.743 0.306 . . . . 0.0 110.307 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 31' ' ' THR . 38.6 p -118.07 161.87 19.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 27' ' ' GLU . 10.7 mt -61.82 -40.82 96.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.962 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.621 ' H ' ' HA ' ' A' ' 29' ' ' SER . 42.5 t -67.1 -9.61 41.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.084 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.8 -44.98 90.91 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.079 0.466 . . . . 0.0 109.936 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.53 -3.97 26.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 75.08 63.76 0.06 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.278 0.561 . . . . 0.0 109.935 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.2 mm -93.58 138.02 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.698 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -121.81 177.62 5.2 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.753 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -58.47 -50.87 72.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.576 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.08 45.41 0.63 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.693 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.2 p -121.68 153.31 38.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.78 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.5 m -111.62 108.66 18.22 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.368 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.04 137.88 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.487 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -95.5 109.55 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.525 HD13 HG13 ' A' ' 39' ' ' ILE . 3.5 tt -100.38 142.36 31.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.81 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.617 HG13 HD11 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -107.58 145.07 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.839 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.457 HD11 HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -121.62 105.61 10.59 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.638 -179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 . . . . . 0 N--CA 1.462 0.148 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.809 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.778 0.323 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.404 ' HB2' ' CD ' ' A' ' 95' ' ' GLU . 2.2 m-20 -88.19 -103.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.951 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.57 ' O ' HD22 ' A' ' 96' ' ' LEU . 7.2 tt0 -126.23 -36.0 2.36 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.109 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -112.42 -44.57 3.35 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.351 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.404 ' CD ' ' HB2' ' A' ' 92' ' ' ASP . 2.3 pm0 -62.33 -9.65 8.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.846 0.355 . . . . 0.0 110.684 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.7 HD23 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -76.38 -10.35 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.871 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.7 ' N ' HD23 ' A' ' 96' ' ' LEU . 1.5 mt -95.83 -52.11 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.506 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -60.91 -34.97 75.48 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.687 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.9 OUTLIER -80.07 -29.65 39.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.61 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.83 -26.63 65.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.649 HG23 ' HA2' ' A' ' 56' ' ' GLY . 48.4 mt -84.82 -30.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.351 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.83 -12.02 32.18 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.813 HD12 ' N ' ' A' ' 104' ' ' SER . 2.6 pp -97.12 -69.66 0.75 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.129 -1.028 . . . . 0.0 113.267 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.813 ' N ' HD12 ' A' ' 103' ' ' LEU . 99.8 p -99.59 -10.35 22.14 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 3.6 mm? . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.845 0.355 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.475 HG22 ' HA ' ' A' ' 72' ' ' ARG . 36.8 pt -82.04 -174.77 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -125.2 134.77 52.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.569 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.29 129.59 55.55 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -122.42 119.39 30.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 111.237 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 p -73.86 158.62 34.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.198 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 17' ' ' LEU . 15.6 tp -62.34 -17.68 59.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.432 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.3 p -79.54 -18.89 50.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.503 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.58 33.48 4.76 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.35 120.27 41.17 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -87.94 132.35 34.26 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.508 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.851 HD13 HD11 ' A' ' 39' ' ' ILE . 21.6 mt -132.57 124.68 51.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.546 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.9 m -104.49 123.57 47.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.303 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.48 140.1 48.24 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -76.65 108.28 9.54 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.482 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.418 ' CG2' HG23 ' A' ' 12' ' ' ILE . 34.1 m -133.13 141.77 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.73 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.684 ' O ' HD12 ' A' ' 65' ' ' LEU . 8.1 mm-40 -68.15 161.55 26.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.059 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 t -61.96 -23.04 66.14 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.258 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.609 ' HA ' ' H ' ' A' ' 66' ' ' SER . 90.9 p -115.64 4.23 14.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -178.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.19 158.76 0.23 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.752 0.31 . . . . 0.0 110.724 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.2 p -100.51 165.14 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.395 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.526 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 42.7 mm -52.85 -48.97 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.065 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -43.5 -44.7 6.12 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -65.4 -37.07 85.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.037 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' ILE . 61.8 t -64.14 -49.75 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.914 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -59.74 -62.54 1.8 Allowed 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.063 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.5 p -46.25 -48.48 17.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.909 0.385 . . . . 0.0 110.319 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -53.54 -31.16 45.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.302 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.851 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -68.31 -47.71 76.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.744 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.482 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 2.3 pt20 -63.91 -21.61 66.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.794 0.331 . . . . 0.0 110.95 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -77.39 -36.57 53.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.077 0.465 . . . . 0.0 109.787 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -90.28 -37.49 14.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.394 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' A' ' 45' ' ' ILE . 8.3 mp0 -118.41 6.65 11.82 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 70.69 -44.67 0.64 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.81 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.604 HG21 HE21 ' A' ' 50' ' ' GLN . 79.4 mt -38.77 123.89 1.19 Allowed Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 2.6 Cg_endo -48.0 140.67 18.45 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.994 2.463 . . . . 0.0 112.403 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.62 -39.35 35.73 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.551 2.167 . . . . 0.0 112.138 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.67 -44.18 91.19 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.723 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -57.69 -10.17 1.49 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.684 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.604 HE21 HG21 ' A' ' 45' ' ' ILE . 22.6 mt-30 -113.41 156.23 23.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.868 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -140.63 168.53 19.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.73 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.706 HD12 HD12 ' A' ' 76' ' ' LEU . 1.3 mm? -121.52 109.13 14.44 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -112.8 124.65 69.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.47 ' HB3' HD11 ' A' ' 59' ' ' LEU . 20.0 t-105 -156.21 136.24 12.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.032 0.444 . . . . 0.0 110.74 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.656 ' HA ' HD11 ' A' ' 105' ' ' LEU . . . 71.24 41.45 0.77 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.982 179.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.584 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 62.49 2.21 4.13 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.547 178.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -125.76 138.68 53.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.054 0.454 . . . . 0.0 110.795 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -73.96 126.72 31.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.459 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.654 HD12 ' HB3' ' A' ' 52' ' ' LEU . 71.3 mt -76.84 139.03 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.746 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -94.37 142.41 27.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.177 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.526 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -49.95 -22.93 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.56 -179.22 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.4 -0.62 67.44 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 149.01 34.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.796 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -113.33 170.95 7.86 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.684 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.8 mt -84.18 -36.56 22.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.754 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.609 ' H ' ' HA ' ' A' ' 29' ' ' SER . 14.2 p -73.21 -9.6 58.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.696 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.66 -61.57 2.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.02 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -96.8 0.44 49.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.641 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 73.01 36.4 0.87 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.123 0.487 . . . . 0.0 110.006 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.3 mt -54.05 119.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -94.09 152.27 18.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HA ' HG22 ' A' ' 12' ' ' ILE . 16.4 ptt180 -46.95 -40.07 13.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.979 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -78.27 50.34 0.91 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.5 t -127.9 151.02 49.6 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.4 m -107.86 105.98 16.04 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.82 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.706 HD12 HD12 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -89.06 123.41 33.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.293 -179.088 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -76.96 105.74 8.22 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 tt -99.52 132.86 44.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.139 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.761 HG13 HD13 ' A' ' 96' ' ' LEU . 2.1 t -97.6 143.01 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.883 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.501 HD21 HG21 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -124.15 97.63 5.42 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.467 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.488 ' HA ' HD21 ' A' ' 96' ' ' LEU . 12.5 ptt180 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.446 ' HB1' ' HB3' ' A' ' 96' ' ' LEU . . . . . . . . 0 C--O 1.232 0.168 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -135.22 -61.47 0.74 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.674 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.739 ' O ' HD11 ' A' ' 96' ' ' LEU . 4.3 tm-20 -160.43 -62.62 0.06 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.341 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.26 -45.47 10.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.457 ' HG2' ' H ' ' A' ' 96' ' ' LEU . 2.1 pm0 -53.27 -58.83 5.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.756 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.002 HD12 ' N ' ' A' ' 97' ' ' ILE . 2.1 pp -39.27 -29.5 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 1.002 ' N ' HD12 ' A' ' 96' ' ' LEU . 1.6 mt -84.68 -62.94 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.336 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.468 ' N ' HG22 ' A' ' 97' ' ' ILE . 2.8 ptp180 -56.08 -32.61 64.3 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 103' ' ' LEU . 0.2 OUTLIER -66.54 -71.34 0.2 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -38.79 -29.58 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.885 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.477 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 81.5 mt -76.74 -40.56 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 120.955 0.407 . . . . 0.0 110.862 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.3 mp0 -85.67 -21.15 28.5 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 104' ' ' SER . 1.0 OUTLIER -97.19 -68.36 0.8 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -178.39 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.654 ' N ' HD12 ' A' ' 103' ' ' LEU . 15.6 m -84.73 -11.66 55.36 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.656 HD11 ' HA ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.079 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.49 ' HB3' HG22 ' A' ' 23' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.732 0.301 . . . . 0.0 110.589 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 24' ' ' LEU . 41.6 pt -74.51 178.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.244 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -129.53 134.91 48.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.932 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -120.77 141.72 50.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.22 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -132.11 120.07 21.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.998 0.428 . . . . 0.0 110.961 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 37.4 p -80.23 175.91 10.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.762 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 17' ' ' LEU . 2.7 tm? -54.82 -48.78 72.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.331 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -59.08 -21.05 58.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.047 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.35 38.25 4.84 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 9.6 tmtt? -91.83 120.28 32.39 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -86.02 125.17 33.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.816 0.341 . . . . 0.0 110.67 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.694 HD13 HD11 ' A' ' 39' ' ' ILE . 28.3 mt -132.64 128.94 58.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.544 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.49 HG22 ' HB3' ' A' ' 11' ' ' GLN . 44.7 m -105.66 129.15 53.95 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -132.76 138.83 47.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.13 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.9 113.67 12.47 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.188 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 12' ' ' ILE . 29.2 m -146.85 -169.27 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 121.093 0.473 . . . . 0.0 111.405 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.666 ' O ' HD12 ' A' ' 65' ' ' LEU . 1.6 mp0 -115.27 164.31 14.43 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.188 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -17.85 64.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.804 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.563 ' HA ' ' H ' ' A' ' 66' ' ' SER . 4.0 m -116.26 4.86 13.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.0 153.1 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.642 0.258 . . . . 0.0 110.407 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 37.1 p -94.78 156.86 16.19 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.589 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.486 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 33.5 mm -54.49 -52.79 36.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.256 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -48.45 -41.33 29.2 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.836 0.351 . . . . 0.0 110.219 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -71.42 -40.36 70.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.493 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.9 t -59.4 -46.28 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.355 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' HG22 ' A' ' 39' ' ' ILE . 54.6 mtmt -62.46 -62.35 1.81 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.192 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.6 p -47.08 -50.83 19.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.936 0.398 . . . . 0.0 110.237 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -51.29 -34.03 31.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.137 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.694 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -72.63 -42.27 62.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.5 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.4 -27.05 55.18 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.592 -179.652 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.5 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 25.4 t70 -70.41 -25.52 63.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.81 -40.15 10.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.216 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -114.55 3.63 14.93 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 73.8 -42.99 1.13 Allowed Glycine 0 CA--C 1.53 0.969 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.167 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.411 ' HB ' ' NE2' ' A' ' 50' ' ' GLN . 14.6 mt -42.22 120.18 2.36 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-O 120.589 0.233 . . . . 0.0 111.335 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.01 139.09 42.57 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.995 2.463 . . . . 0.0 112.649 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -49.21 -46.76 24.56 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 123.153 2.568 . . . . 0.0 112.569 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.48 -43.68 98.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.677 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -59.95 -13.45 11.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.471 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.44 HE22 ' CG2' ' A' ' 39' ' ' ILE . 60.5 mt-30 -114.4 158.83 21.0 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.12 0.486 . . . . 0.0 111.28 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -147.89 163.24 37.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.994 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 53' ' ' ILE . 5.0 mp -121.33 128.31 52.15 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.671 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.3 mp -116.29 123.61 71.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -148.72 135.65 19.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.048 0.452 . . . . 0.0 111.147 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.635 ' H ' HD21 ' A' ' 105' ' ' LEU . . . 66.65 46.91 1.68 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.778 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.592 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 60.67 2.82 2.67 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.448 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -129.29 132.96 47.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.014 0.407 . . . . 0.0 110.94 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.75 122.51 16.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.458 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.406 HD21 ' OH ' ' A' ' 68' ' ' TYR . 5.2 mt -67.82 125.07 25.09 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.738 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.66 128.92 36.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.814 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.486 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -51.1 -18.94 0.95 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.24 -178.698 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.41 -3.58 86.66 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.443 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -84.35 170.0 14.06 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.025 0.441 . . . . 0.0 111.056 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 31' ' ' THR . 68.7 p -118.32 178.91 4.27 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.882 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 27' ' ' GLU . 6.7 mt -80.1 -38.07 32.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.966 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.563 ' H ' ' HA ' ' A' ' 29' ' ' SER . 36.0 t -65.04 -9.14 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.19 -28.1 24.97 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.966 0.413 . . . . 0.0 110.211 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.406 ' OH ' HD21 ' A' ' 59' ' ' LEU . 10.7 m-85 -125.74 -3.58 7.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.335 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t30 77.58 38.66 0.2 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.421 0.629 . . . . 0.0 109.643 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.571 HG23 ' CB ' ' A' ' 74' ' ' SER . 8.2 mt -66.56 115.7 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.44 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -84.35 -135.09 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.462 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.37 -39.82 7.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.232 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -84.19 44.83 1.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.219 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.571 ' CB ' HG23 ' A' ' 70' ' ' ILE . 94.9 p -102.7 140.09 37.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.998 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.4 m -101.61 97.06 7.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.867 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.402 HD22 HD12 ' A' ' 12' ' ' ILE . 3.5 mp -82.0 156.94 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.799 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -117.46 109.44 16.76 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.562 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 16' ' ' THR . 4.4 tt -107.99 139.23 42.92 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 96' ' ' LEU . 2.1 t -106.94 126.22 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.187 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 80' ' ' LEU . 34.2 mt -97.82 102.34 14.07 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.646 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.4 ptt85 . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.387 179.821 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.676 0.274 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -142.73 34.9 1.42 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.64 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 94' ' ' GLU . 0.5 OUTLIER 59.17 69.39 0.72 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.664 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 1.009 ' H ' HD22 ' A' ' 96' ' ' LEU . 23.0 tt0 156.73 -82.48 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.462 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.431 ' N ' ' HG2' ' A' ' 94' ' ' GLU . 7.4 pt-20 -63.25 -10.26 14.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.274 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.009 HD22 ' H ' ' A' ' 94' ' ' GLU . 0.6 OUTLIER -70.71 -11.13 60.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.772 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.715 ' N ' HD23 ' A' ' 96' ' ' LEU . 1.8 mt -95.24 -53.81 7.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 120.704 0.288 . . . . 0.0 110.347 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.0 ptt85 -66.79 -39.49 87.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.976 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 10.9 ptmm? -65.43 -30.72 71.55 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.184 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.76 -26.07 49.59 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.723 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.543 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 42.9 mt -78.44 -29.25 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -93.93 -11.22 31.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.295 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -90.24 -73.96 0.51 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -177.731 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 t -97.82 -11.52 23.21 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.635 HD21 ' H ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 120.788 0.328 . . . . 0.0 110.694 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.737 0.303 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.446 HG12 HG22 ' A' ' 26' ' ' VAL . 17.7 pt -76.43 175.98 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.837 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.17 131.94 54.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.86 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.32 145.25 48.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.02 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.12 118.22 19.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.425 HG22 HD22 ' A' ' 78' ' ' LEU . 36.7 p -64.63 162.53 15.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.07 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.547 HD23 ' CB ' ' A' ' 91' ' ' ALA . 12.8 tp -67.6 -10.15 49.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.272 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -88.67 -15.4 35.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.53 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.14 24.55 8.91 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.87 126.5 42.06 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -91.16 127.99 36.81 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.759 0.314 . . . . 0.0 111.046 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.605 HD13 HD11 ' A' ' 39' ' ' ILE . 15.0 mt -133.59 132.46 57.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.546 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -107.2 130.42 54.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.229 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.26 140.14 48.52 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.63 106.32 10.52 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.678 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG22 HG12 ' A' ' 12' ' ' ILE . 3.3 m -130.42 -172.76 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.093 0.473 . . . . 0.0 111.222 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.544 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.8 mm-40 -113.28 163.73 14.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.024 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 30.3 t -65.0 -18.02 64.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.084 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.607 ' HA ' ' H ' ' A' ' 66' ' ' SER . 83.5 p -119.09 4.51 11.35 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.49 154.01 0.32 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.449 HG22 HG22 ' A' ' 64' ' ' THR . 27.9 p -98.51 160.92 13.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.628 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.452 HD11 HD22 ' A' ' 59' ' ' LEU . 14.9 mm -53.19 -50.69 45.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.247 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -45.33 -45.58 12.45 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.788 0.328 . . . . 0.0 110.328 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -65.14 -36.77 85.28 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.648 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.77 -45.9 97.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HG2' HE22 ' A' ' 50' ' ' GLN . 37.2 mttp -59.02 -63.98 1.11 Allowed 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.858 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.0 p -49.56 -50.73 41.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.624 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -48.59 -32.92 8.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.27 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.605 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -71.36 -42.06 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.397 179.538 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -57.32 -27.23 62.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.841 0.353 . . . . 0.0 110.646 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -73.42 -27.72 61.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -91.06 -40.67 11.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.422 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' A' ' 45' ' ' ILE . 34.1 mt-10 -123.13 7.68 9.18 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 74.04 -34.46 0.91 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.487 ' H ' ' C ' ' A' ' 43' ' ' GLU . 36.3 mm -37.5 121.26 0.92 Allowed Pre-proline 0 N--CA 1.464 0.271 0 CA-C-O 120.581 0.229 . . . . 0.0 111.294 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -62.17 134.68 50.37 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.161 1.907 . . . . 0.0 111.664 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -47.95 -34.21 22.04 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 123.002 2.468 . . . . 0.0 112.692 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.29 -41.44 33.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.312 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -63.53 -16.81 61.79 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.074 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.426 HE22 ' HG2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -115.42 159.66 20.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.944 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.35 163.99 29.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.937 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -133.93 129.09 35.81 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.037 0.446 . . . . 0.0 111.444 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.619 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -120.44 134.43 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.666 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.414 ' HB3' HD11 ' A' ' 59' ' ' LEU . 1.1 t-105 -151.89 137.97 18.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.001 0.429 . . . . 0.0 111.192 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.605 ' N ' HD21 ' A' ' 105' ' ' LEU . . . 59.17 46.77 12.62 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.709 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.489 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 63.29 -5.73 0.6 Allowed Glycine 0 CA--C 1.528 0.864 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.317 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 55' ' ' ALA . 23.9 ttpt -118.78 126.68 52.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.971 0.415 . . . . 0.0 110.631 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.24 127.82 33.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.963 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.587 HD12 ' HB3' ' A' ' 52' ' ' LEU . 22.2 mt -64.82 114.44 4.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.377 . . . . 0.0 110.773 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.6 143.73 28.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -45.14 -38.5 5.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.403 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.38 -1.04 68.72 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.246 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -84.22 147.93 27.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.449 HG22 HG22 ' A' ' 31' ' ' THR . 41.2 p -115.61 -178.0 3.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.457 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.7 mt -92.35 -38.73 11.87 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.394 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.607 ' H ' ' HA ' ' A' ' 29' ' ' SER . 25.5 t -69.34 -9.69 54.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.513 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.456 ' CG ' ' N ' ' A' ' 68' ' ' TYR . 16.0 p-10 -52.84 -57.3 10.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.371 . . . . 0.0 110.112 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.456 ' N ' ' CG ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -95.6 0.78 53.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.728 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 72.8 35.99 0.97 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.235 0.54 . . . . 0.0 110.146 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.67 119.98 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.5 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -156.27 0.06 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.886 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.462 ' C ' ' H ' ' A' ' 74' ' ' SER . 18.3 ptt85 -98.68 -38.07 9.25 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.31 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -77.85 27.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 110.124 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.462 ' H ' ' C ' ' A' ' 72' ' ' ARG . 5.6 m -89.02 146.17 25.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.796 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 m -102.91 104.24 14.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.221 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mp -82.85 143.28 30.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.476 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -107.56 108.39 19.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.512 HD12 HD11 ' A' ' 52' ' ' LEU . 5.5 tt -104.61 142.33 34.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.286 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.407 HG21 HD13 ' A' ' 53' ' ' ILE . 27.5 m -120.82 145.49 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.8 mt -114.56 139.41 49.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.679 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.557 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.547 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . . . . . . 0 C--O 1.232 0.159 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -140.79 -121.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.531 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.782 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.5 tt0 -99.14 -49.72 4.4 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.212 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.43 ' HG3' ' H ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -96.74 -48.24 5.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.214 -179.282 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 97' ' ' ILE . 1.9 mt-10 -48.66 -44.63 37.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.973 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.782 HD22 ' O ' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -34.54 -28.44 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -178.259 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.705 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.4 mt -81.96 -59.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.615 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -64.38 -27.88 69.31 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -69.07 -44.45 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.169 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.63 -22.88 60.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.563 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.441 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 45.6 mt -78.82 -34.27 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.61 -12.23 29.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.387 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 17' ' ' LEU . 20.9 mt -93.81 -73.45 0.57 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.9 p -90.97 -11.36 39.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.605 HD21 ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.361 -179.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.457 ' HB3' HG22 ' A' ' 23' ' ' THR . 12.2 mt-30 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.701 0.286 . . . . 0.0 110.458 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.56 HD12 HD22 ' A' ' 76' ' ' LEU . 28.4 pt -74.15 179.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.271 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -127.22 136.5 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.288 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.79 143.43 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.254 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -123.63 117.78 25.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.748 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.536 HG22 HD22 ' A' ' 78' ' ' LEU . 41.1 p -67.11 168.41 10.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.181 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.612 HD11 HD21 ' A' ' 103' ' ' LEU . 14.0 tp -66.25 -15.79 63.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.236 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.9 p -85.15 -20.53 30.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.492 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.59 40.44 3.17 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 8.7 tmtm? -104.43 127.35 52.1 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.64 122.54 30.7 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.816 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.687 HD13 HD11 ' A' ' 39' ' ' ILE . 9.0 mt -132.92 132.47 59.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.417 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 11' ' ' GLN . 12.3 m -100.58 132.24 46.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.132 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 mt -123.96 127.29 47.72 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.051 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -76.14 97.21 4.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.172 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.435 HG22 HG12 ' A' ' 12' ' ' ILE . 10.8 m -132.37 -170.14 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.164 0.507 . . . . 0.0 111.695 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.662 ' O ' HD12 ' A' ' 65' ' ' LEU . 14.3 mt-10 -107.23 156.64 18.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.71 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.7 p -64.19 -15.72 60.47 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.055 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.664 ' HA ' ' H ' ' A' ' 66' ' ' SER . 14.3 t -121.59 3.53 10.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.352 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.02 164.14 0.05 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.731 0.3 . . . . 0.0 110.792 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.2 p -96.91 161.24 13.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.429 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 29.3 mm -52.05 -46.56 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.57 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -47.6 -40.04 18.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -68.92 -43.14 75.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.679 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -65.4 -39.72 86.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.56 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.515 ' HA ' ' NE2' ' A' ' 50' ' ' GLN . 13.2 mttp -65.78 -63.63 1.04 Allowed 'General case' 0 N--CA 1.458 -0.046 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.071 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 98.9 p -46.77 -48.75 20.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.969 0.414 . . . . 0.0 110.051 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -52.71 -35.51 55.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.044 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.687 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -67.14 -47.29 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.721 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.491 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -58.27 -25.87 62.29 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.035 -179.261 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.491 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 21.7 t70 -74.39 -26.21 59.96 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -91.64 -39.31 11.93 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.341 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 45' ' ' ILE . 33.6 mt-10 -120.02 5.91 10.85 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.22 -41.01 1.28 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.437 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 11.5 mm -40.22 110.17 0.65 Allowed Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 122.128 0.171 . . . . 0.0 111.147 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 3.1 Cg_exo -50.3 144.6 23.2 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.415 2.076 . . . . 0.0 112.142 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -49.17 -33.89 29.04 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.971 2.447 . . . . 0.0 112.336 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -76.52 -41.53 46.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.283 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -58.81 -18.44 32.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.318 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.584 ' NE2' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -119.71 165.51 14.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.382 . . . . 0.0 111.019 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -142.11 171.48 13.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.834 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -129.83 118.41 21.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.934 0.397 . . . . 0.0 110.422 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.654 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -113.47 122.85 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.561 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -130.93 131.58 44.55 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.036 0.446 . . . . 0.0 111.192 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.478 ' H ' ' CD1' ' A' ' 105' ' ' LEU . . . 55.25 59.49 3.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.783 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.7 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 55.65 4.24 0.59 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-N 116.2 -0.454 . . . . 0.0 112.99 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -122.6 135.74 54.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 117.292 0.546 . . . . 0.0 110.94 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -72.32 130.21 40.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.836 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 52' ' ' LEU . 48.0 mt -79.3 134.29 36.63 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.728 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -90.67 140.71 29.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.409 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.471 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 6.1 p-10 -48.93 -30.23 5.68 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.455 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.97 -1.9 85.86 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -77.39 152.48 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 p -113.94 162.22 16.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.465 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.4 mt -70.68 -44.67 66.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.549 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.664 ' H ' ' HA ' ' A' ' 29' ' ' SER . 23.7 t -65.6 -9.9 30.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.134 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.68 -61.06 2.55 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.54 -0.41 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.255 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 77.51 49.3 0.05 OUTLIER 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.063 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.462 HG21 HD22 ' A' ' 65' ' ' LEU . 33.7 mm -78.23 116.02 21.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -80.52 -131.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.474 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -101.16 -42.84 6.2 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.079 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.48 85.27 2.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.4 m -131.24 151.27 51.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.542 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 m -98.58 96.8 8.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.56 HD22 HD12 ' A' ' 12' ' ' ILE . 4.3 mp -83.56 98.21 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.845 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -62.57 110.47 1.71 Allowed 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.596 HD13 HG13 ' A' ' 39' ' ' ILE . 5.3 tt -107.13 138.99 42.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.407 HG13 ' CD1' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -94.37 142.25 13.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.925 179.579 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -119.26 116.32 26.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.51 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.425 ' HG2' ' HG3' ' A' ' 93' ' ' GLU . 3.3 ttm-85 . . . . . 0 C--O 1.234 0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.566 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.096 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -122.23 44.45 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.725 0.298 . . . . 0.0 110.98 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 5.2 mp0 48.45 69.86 0.51 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.53 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.707 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.5 mt-10 151.49 -73.35 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -61.69 -9.14 5.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.233 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.707 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.2 pt? -69.15 -16.25 63.6 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.333 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.4 mt -95.31 -52.26 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -61.18 -35.37 76.96 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.82 0.343 . . . . 0.0 110.499 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.585 ' O ' HD23 ' A' ' 103' ' ' LEU . 3.3 ptmm? -76.26 -31.05 58.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.342 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.56 -30.2 68.92 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.7 HG23 ' HA2' ' A' ' 56' ' ' GLY . 25.6 mt -80.15 -28.96 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.274 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.98 -12.19 31.35 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.886 HD12 ' N ' ' A' ' 104' ' ' SER . 2.6 pp -97.18 -70.25 0.73 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 119.073 -1.051 . . . . 0.0 113.379 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.886 ' N ' HD12 ' A' ' 103' ' ' LEU . 25.6 t -99.54 -9.8 22.85 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -177.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 3.9 mm? . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.482 ' HB3' HG22 ' A' ' 23' ' ' THR . 1.2 mp0 . . . . . 0 C--O 1.232 0.146 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.504 HD12 HD22 ' A' ' 76' ' ' LEU . 40.8 pt -73.26 174.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.268 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -119.47 130.81 55.42 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.216 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.49 130.36 55.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.173 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HG3' ' H ' ' A' ' 16' ' ' THR . 1.1 tppt? -108.18 157.27 18.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.186 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.41 ' H ' ' HG3' ' A' ' 15' ' ' LYS . 69.5 p -112.54 164.23 13.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.402 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.764 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.3 tm? -54.23 -46.62 72.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.665 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.1 p -64.99 -21.88 66.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.838 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.51 47.74 1.49 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -105.67 131.0 53.57 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -90.23 129.65 36.45 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.022 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.84 128.07 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.298 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.482 HG22 ' HB3' ' A' ' 11' ' ' GLN . 2.8 m -108.35 128.48 54.8 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.416 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.425 HD12 HG13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -133.1 140.19 47.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.665 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.24 96.74 7.96 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 m -118.58 -178.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.921 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.714 ' O ' HD12 ' A' ' 65' ' ' LEU . 17.7 mm-40 -103.63 155.77 18.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.833 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.4 p -60.97 -23.05 65.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.33 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.603 ' HA ' ' H ' ' A' ' 66' ' ' SER . 1.4 m -115.15 4.05 14.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.569 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.09 160.87 0.18 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.897 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 p -98.61 158.8 15.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.459 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 40.9 mm -52.43 -48.19 46.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.513 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.25 -48.14 35.6 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.717 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -62.85 -44.45 96.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.045 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.2 t -57.34 -47.14 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.688 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 39' ' ' ILE . 29.2 mtpt -59.74 -62.21 2.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.061 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.4 p -45.94 -46.64 16.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.978 0.418 . . . . 0.0 109.879 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 9.4 mptt -49.26 -38.68 27.77 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.7 179.102 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -65.11 -42.89 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.497 179.657 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.418 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 1.5 pt20 -57.33 -27.45 62.23 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.752 0.31 . . . . 0.0 110.754 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.53 -27.4 61.33 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.709 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 40.2 mmtm -92.27 -40.85 10.73 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.137 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -118.64 4.98 11.61 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.81 -42.52 1.82 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.701 HG21 ' CD2' ' A' ' 80' ' ' LEU . 8.0 mm -38.01 118.72 0.96 Allowed Pre-proline 0 N--CA 1.464 0.241 0 CA-C-N 115.855 -0.173 . . . . 0.0 111.321 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.4 Cg_exo -70.59 143.49 46.97 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.199 1.933 . . . . 0.0 111.782 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -47.04 -35.68 19.32 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 123.031 2.487 . . . . 0.0 112.341 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -56.2 -32.53 64.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.025 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -95.31 -14.64 23.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.671 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.613 ' OE1' HD21 ' A' ' 78' ' ' LEU . 17.8 mm-40 -91.79 121.41 33.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.016 0.436 . . . . 0.0 111.221 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HB3' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -114.37 147.09 39.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.297 179.317 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.489 ' HB3' HD12 ' A' ' 59' ' ' LEU . 3.4 mm? -117.56 112.95 21.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.692 0.282 . . . . 0.0 111.183 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.584 HD11 ' HG2' ' A' ' 58' ' ' GLN . 1.4 mp -114.99 123.35 70.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CB ' HD11 ' A' ' 59' ' ' LEU . 81.0 t90 -142.56 138.14 30.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.178 0.513 . . . . 0.0 110.964 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.507 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 60.11 55.08 3.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.798 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.559 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 55.84 8.09 1.96 Allowed Glycine 0 CA--C 1.529 0.915 0 CA-C-N 116.229 -0.442 . . . . 0.0 112.894 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -133.51 148.0 51.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.295 0.547 . . . . 0.0 111.26 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.584 ' HG2' HD11 ' A' ' 53' ' ' ILE . 5.5 mt-30 -76.39 122.6 24.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.849 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.495 HD11 ' CB ' ' A' ' 54' ' ' TRP . 94.8 mt -68.96 129.6 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.922 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.12 128.9 34.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.086 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.443 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -53.79 -20.12 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.727 -179.012 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.58 -3.85 90.52 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -77.72 159.91 28.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.408 . . . . 0.0 111.051 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.7 p -117.58 167.95 10.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.45 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.2 mt -75.82 -36.61 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.304 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.603 ' H ' ' HA ' ' A' ' 29' ' ' SER . 70.4 p -77.82 -10.57 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.134 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.66 -61.81 2.11 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -88.52 2.63 52.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.408 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER 77.42 12.91 2.0 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.132 0.491 . . . . 0.0 110.351 -179.626 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 mt -42.75 110.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.417 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -81.2 -145.38 0.05 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HA ' HG22 ' A' ' 12' ' ' ILE . 10.6 ptt180 -99.24 -40.7 7.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.175 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.77 45.12 0.49 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.415 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -113.33 143.65 44.08 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.679 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.2 m -98.81 101.93 13.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.292 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.504 HD22 HD12 ' A' ' 12' ' ' ILE . 3.8 mp -81.48 101.0 9.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.002 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -67.36 109.33 3.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.973 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.613 HD21 ' OE1' ' A' ' 50' ' ' GLN . 7.3 tt -110.57 144.97 38.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.273 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.481 ' HB ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -128.05 119.88 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.064 179.725 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.701 ' CD2' HG21 ' A' ' 45' ' ' ILE . 5.6 mt -75.17 131.75 40.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.366 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.071 179.38 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.596 ' HB2' ' NZ ' ' A' ' 99' ' ' LYS . . . . . . . . 0 C--O 1.233 0.226 0 CA-C-O 120.635 0.255 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -147.91 -111.67 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.639 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.723 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.6 tt0 -115.31 -40.46 3.43 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.332 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -106.19 -46.3 4.1 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.672 0.272 . . . . 0.0 110.889 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 7.0 pt-20 -61.29 -10.65 7.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.265 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.723 HD22 ' O ' ' A' ' 93' ' ' GLU . 1.1 pt? -70.12 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.954 0.406 . . . . 0.0 109.984 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.59 ' N ' HD23 ' A' ' 96' ' ' LEU . 7.4 mt -96.52 -51.87 10.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.994 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 99' ' ' LYS . 10.4 ptp180 -49.72 -43.15 47.44 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.184 -178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.669 ' CG ' ' H ' ' A' ' 100' ' ' ALA . 1.2 ptmt -74.9 -71.0 0.38 Allowed 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.967 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.669 ' H ' ' CG ' ' A' ' 99' ' ' LYS . . . -34.23 -30.6 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.499 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 26.1 mt -80.69 -50.91 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.696 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -83.91 -9.63 58.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.455 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 99' ' ' LYS . 11.7 tp -93.73 -73.21 0.58 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.3 t -99.14 -11.15 21.66 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.559 ' HG ' ' H ' ' A' ' 56' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.412 0 C-N-CA 120.564 -0.454 . . . . 0.0 112.128 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.887 0.375 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.0 pt -76.21 179.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.648 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -127.03 135.39 50.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.745 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.2 145.37 48.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.103 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.39 115.33 20.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.5 p -64.75 162.91 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.333 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.586 HD11 HD21 ' A' ' 103' ' ' LEU . 11.2 tp -65.9 -11.11 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.579 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.9 p -87.32 -19.66 27.89 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.333 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.8 35.82 4.18 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.23 132.84 50.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.589 0.233 . . . . 0.0 110.461 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.75 125.54 34.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.268 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.509 HD13 HD11 ' A' ' 39' ' ' ILE . 31.0 mt -132.62 129.03 58.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.492 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 m -106.83 129.67 54.64 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -132.46 138.45 47.6 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.012 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -80.26 107.88 13.41 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.662 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.0 m -131.81 170.68 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.246 0.546 . . . . 0.0 111.596 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.624 ' O ' HD12 ' A' ' 65' ' ' LEU . 16.2 mt-10 -87.06 159.23 19.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.885 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 11.5 t -67.05 -17.15 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.507 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.617 ' HA ' ' H ' ' A' ' 66' ' ' SER . 95.0 p -118.36 3.53 11.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.518 -178.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.49 160.83 0.1 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.814 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.623 HG22 HG22 ' A' ' 64' ' ' THR . 28.4 p -106.83 171.58 7.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.816 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.1 mm -54.55 -51.95 45.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.263 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.67 -47.42 10.56 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.558 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -64.76 -39.76 94.16 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.067 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' THR . 84.3 t -63.59 -47.25 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.811 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HZ2' HE21 ' A' ' 50' ' ' GLN . 0.1 OUTLIER -59.11 -64.1 1.06 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.099 179.546 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t -49.34 -48.16 46.79 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.155 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -48.22 -34.79 10.74 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.016 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.509 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -70.88 -41.83 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.614 179.688 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 44' ' ' GLY . 2.3 pt20 -55.95 -30.42 61.67 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.767 0.317 . . . . 0.0 110.496 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -23.61 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -92.11 -42.85 9.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.354 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 45' ' ' ILE . 51.2 mt-10 -123.31 7.1 9.05 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 74.64 -31.89 1.02 Allowed Glycine 0 CA--C 1.528 0.878 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.595 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.45 ' H ' ' C ' ' A' ' 43' ' ' GLU . 37.3 mm -38.48 133.81 0.98 Allowed Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.139 0.176 . . . . 0.0 111.451 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.4 Cg_exo -69.78 130.66 19.7 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.311 2.007 . . . . 0.0 111.593 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -47.99 -35.36 25.1 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.8 2.334 . . . . 0.0 112.637 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.77 -43.12 63.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.425 ' C ' ' HE ' ' A' ' 81' ' ' ARG . 20.1 tt0 -65.06 -11.86 44.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.403 HE21 ' HZ2' ' A' ' 36' ' ' LYS . 8.1 mt-30 -89.57 -176.43 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.135 0.493 . . . . 0.0 111.077 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -167.64 146.74 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.096 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -129.26 121.92 28.58 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.141 -179.296 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.58 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.1 mp -115.72 126.06 73.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.825 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.573 ' HB2' HD11 ' A' ' 59' ' ' LEU . 69.2 t90 -137.7 132.88 33.52 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.018 0.437 . . . . 0.0 110.756 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.429 ' N ' ' CD1' ' A' ' 105' ' ' LEU . . . 59.03 59.03 2.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.734 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.838 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 55.14 6.96 0.98 Allowed Glycine 0 CA--C 1.53 0.976 0 CA-C-N 116.103 -0.498 . . . . 0.0 113.127 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -132.28 139.71 48.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 117.351 0.575 . . . . 0.0 111.048 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -71.56 123.11 21.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.007 179.404 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.624 HD22 ' HG2' ' A' ' 63' ' ' ARG . 54.9 mt -65.51 124.36 22.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 mp0 -79.4 137.7 37.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.001 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -41.79 -30.96 0.27 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.861 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.42 10.72 28.02 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.624 ' HG2' HD22 ' A' ' 59' ' ' LEU . 9.9 tpt180 -83.01 137.46 34.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 110.575 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.623 HG22 HG22 ' A' ' 31' ' ' THR . 10.8 p -111.96 165.83 11.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.771 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.9 mt -80.72 -40.19 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.884 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.617 ' H ' ' HA ' ' A' ' 29' ' ' SER . 17.0 p -70.32 -9.44 56.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.941 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -52.29 -61.6 2.17 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -94.35 0.94 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.21 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.7 m120 72.95 36.3 0.89 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.355 0.598 . . . . 0.0 109.657 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.4 mt -60.81 120.13 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.933 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -79.83 -143.43 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.134 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -101.5 -29.42 12.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.729 0.3 . . . . 0.0 110.311 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.47 54.6 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 m -122.76 146.34 47.6 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.9 m -101.83 98.65 8.87 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.158 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.71 96.56 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.623 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.517 ' O ' HD23 ' A' ' 52' ' ' LEU . 21.1 m80 -61.32 106.28 0.61 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.809 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tt -102.9 144.84 30.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.346 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.623 HG12 HD12 ' A' ' 96' ' ' LEU . 34.0 t -121.18 147.92 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.794 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.441 HD11 HG21 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -120.89 121.1 37.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.025 179.374 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.425 ' HE ' ' C ' ' A' ' 49' ' ' GLN . 9.8 ptp180 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.906 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.433 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.806 0.336 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -139.85 -124.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.831 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.567 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 10.9 tp10 -120.4 81.25 1.73 Allowed 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.742 ' H ' HD22 ' A' ' 96' ' ' LEU . 28.8 tt0 143.3 -65.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.351 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -61.98 -9.35 6.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.742 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.4 pt? -67.59 -21.6 65.41 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.905 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.497 ' H ' HD23 ' A' ' 96' ' ' LEU . 5.3 mt -96.04 -52.64 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.593 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -60.06 -36.92 78.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.515 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.572 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -80.15 -30.29 38.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.656 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.41 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -69.95 -22.36 63.18 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.681 HG23 ' HA2' ' A' ' 56' ' ' GLY . 44.6 mt -89.59 -29.52 5.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.194 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -93.54 -11.32 32.16 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.901 HD12 ' N ' ' A' ' 104' ' ' SER . 3.1 pp -95.27 -71.23 0.68 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 118.896 -1.122 . . . . 0.0 113.092 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.901 ' N ' HD12 ' A' ' 103' ' ' LEU . 15.0 t -100.85 -9.69 21.4 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.838 HD12 ' H ' ' A' ' 56' ' ' GLY . 3.1 mm? . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.653 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.856 0.36 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.99 -178.45 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.682 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -130.34 138.12 50.26 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.19 150.39 45.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.995 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -132.19 122.29 25.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.956 0.407 . . . . 0.0 111.407 -179.639 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -70.88 176.31 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.131 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.685 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.5 tm? -59.95 -48.93 79.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.115 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -61.52 -20.44 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.074 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.14 40.21 2.89 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -92.75 123.75 36.26 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.444 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.99 126.46 33.05 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.001 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.883 HD13 HD11 ' A' ' 39' ' ' ILE . 36.5 mt -133.18 128.85 56.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.575 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -103.95 127.51 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.217 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.711 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -132.14 139.85 48.56 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.126 0.489 . . . . 0.0 111.385 -179.488 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -81.06 107.26 13.72 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.587 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.66 -169.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.767 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.747 ' O ' HD12 ' A' ' 65' ' ' LEU . 14.0 mm-40 -117.42 157.31 26.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.511 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.1 p -62.01 -22.37 65.65 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.061 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.619 ' HA ' ' H ' ' A' ' 66' ' ' SER . 96.9 p -115.73 3.98 13.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.637 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.475 ' HB2' ' H ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -50.62 164.04 0.15 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.797 0.332 . . . . 0.0 110.829 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.1 p -97.65 156.76 16.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.2 mm -54.07 -43.29 58.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.087 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -47.83 -49.37 29.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.745 0.307 . . . . 0.0 110.461 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -63.46 -39.86 95.59 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.921 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.32 -48.79 86.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.507 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.531 ' HA ' HE22 ' A' ' 50' ' ' GLN . 44.7 mtmt -62.61 -60.35 3.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.134 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 m -47.07 -47.71 22.72 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.003 0.43 . . . . 0.0 109.874 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -49.26 -39.11 29.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.9 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.883 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -64.63 -40.73 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -58.97 -29.24 67.04 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.797 0.332 . . . . 0.0 110.561 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -73.77 -24.88 59.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 42' ' ' LYS . 6.8 mptt -90.31 -43.44 10.35 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.982 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' C ' ' H ' ' A' ' 45' ' ' ILE . 5.5 mt-10 -123.19 10.62 9.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.49 -38.45 0.71 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 121.048 -0.596 . . . . 0.0 111.92 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.664 HD12 HD21 ' A' ' 80' ' ' LEU . 1.9 mt -41.55 122.39 2.25 Favored Pre-proline 0 N--CA 1.464 0.261 0 CA-C-O 120.686 0.279 . . . . 0.0 111.602 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.18 139.94 86.41 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.485 2.123 . . . . 0.0 112.151 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.83 -33.87 52.75 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.834 2.356 . . . . 0.0 112.218 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -74.2 -40.01 62.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.18 -17.46 62.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.324 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.71 ' NE2' HD11 ' A' ' 78' ' ' LEU . 1.1 pp0? -123.09 173.07 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.424 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -151.41 169.99 20.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.526 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.627 ' HB3' HD12 ' A' ' 59' ' ' LEU . 4.2 mm? -113.55 114.03 25.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.162 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.5 mp -111.81 119.18 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.59 ' HB3' HD11 ' A' ' 59' ' ' LEU . 12.1 t-105 -143.61 137.32 28.25 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.12 0.486 . . . . 0.0 111.23 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.664 ' HA ' HD11 ' A' ' 105' ' ' LEU . . . 61.07 53.09 3.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.915 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.589 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 55.66 4.9 0.72 Allowed Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.692 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -125.42 131.92 52.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 117.106 0.453 . . . . 0.0 111.082 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -72.4 126.65 30.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.671 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' ' 52' ' ' LEU . 55.5 mt -79.38 145.02 33.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 110.662 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.99 139.05 31.03 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.713 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -55.33 -13.09 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.382 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.94 -8.01 60.77 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 159.14 27.13 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.925 0.362 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.69 159.55 20.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.454 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.0 mt -73.89 -39.6 63.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.328 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.619 ' H ' ' HA ' ' A' ' 29' ' ' SER . 15.1 t -70.59 -10.69 59.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.78 -24.35 66.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.932 0.396 . . . . 0.0 110.163 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.403 ' O ' ' CB ' ' A' ' 69' ' ' ASN . 22.6 t80 -125.78 -4.91 6.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.456 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER 78.31 30.75 0.4 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.23 0.538 . . . . 0.0 109.66 -179.102 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 mt -63.37 121.16 11.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -118.16 -172.1 2.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.678 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.442 ' C ' ' H ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -54.15 -50.57 66.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.467 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -71.98 37.41 0.07 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.406 -179.37 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.442 ' H ' ' C ' ' A' ' 72' ' ' ARG . 53.9 m -113.25 134.1 54.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.977 0.417 . . . . 0.0 110.589 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.9 m -98.83 103.92 15.92 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.004 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mp -86.27 155.27 20.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.609 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.4 ' O ' HD13 ' A' ' 52' ' ' LEU . 36.7 t-80 -121.31 113.51 20.02 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.71 HD11 ' NE2' ' A' ' 50' ' ' GLN . 4.7 tt -102.61 137.56 40.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 t -98.34 124.85 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.857 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.664 HD21 HD12 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -98.26 122.74 41.8 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.815 -179.44 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 . . . . . 0 N--CA 1.463 0.177 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.807 179.71 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -143.8 28.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.321 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 59.63 66.32 1.02 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.64 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.711 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.6 mt-10 162.16 -80.55 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.582 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -60.83 -10.19 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.556 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.711 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.2 pt? -58.12 -17.47 18.52 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.532 ' N ' HD23 ' A' ' 96' ' ' LEU . 4.1 mt -95.29 -55.62 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.612 0.244 . . . . 0.0 110.868 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -62.73 -34.27 76.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.926 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -73.67 -35.0 65.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.829 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.413 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -73.02 -25.51 60.99 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 109.878 179.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.526 HG23 ' HA2' ' A' ' 56' ' ' GLY . 39.9 mt -76.68 -31.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -94.32 -12.23 28.44 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.951 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 1.2 mm? -93.17 -73.46 0.56 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -177.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.4 t -94.56 -11.61 29.14 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.664 HD11 ' HA ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 120.708 0.29 . . . . 0.0 110.628 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.461 0.124 0 CA-C-O 120.851 0.358 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.461 HG12 HG22 ' A' ' 26' ' ' VAL . 22.8 pt -141.86 167.09 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.07 179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -112.74 125.07 53.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.17 130.19 56.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.868 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -116.64 117.46 29.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.3 p -66.27 163.93 16.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.387 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.705 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -55.45 -46.0 76.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.982 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.6 p -60.56 -22.27 63.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.71 47.1 1.68 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -105.15 134.94 47.42 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.63 118.23 26.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.752 0.311 . . . . 0.0 110.689 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.404 HD13 HD11 ' A' ' 39' ' ' ILE . 57.8 mt -132.88 132.66 59.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.519 ' C ' HD23 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -110.6 135.31 51.44 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -132.75 141.61 48.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.843 179.886 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -83.51 99.86 10.4 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.864 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG22 HG12 ' A' ' 12' ' ' ILE . 18.0 m -128.42 154.78 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.194 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.727 ' O ' HD12 ' A' ' 65' ' ' LEU . 19.7 mt-10 -76.82 159.63 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.786 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 1.8 m -65.2 -22.18 66.86 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.57 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.601 ' HA ' ' H ' ' A' ' 66' ' ' SER . 96.7 p -114.73 3.98 14.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.315 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.11 159.73 0.41 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.786 0.327 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.2 p -93.88 154.44 17.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.248 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 32' ' ' ILE . 27.7 mm -50.23 -45.77 24.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -48.9 -42.81 38.16 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.558 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -66.04 -40.11 90.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.044 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.76 -50.45 80.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.82 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -59.54 -59.67 5.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.077 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.7 p -48.36 -46.74 37.14 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.254 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -50.26 -37.33 35.38 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.404 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -68.12 -42.54 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 179.665 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.7 OUTLIER -57.95 -27.46 63.43 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.76 -179.596 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 3.5 t70 -72.65 -25.73 61.39 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -92.36 -40.99 10.59 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.03 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -115.17 3.46 14.34 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.83 -43.59 1.68 Allowed Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.418 ' H ' HG12 ' A' ' 45' ' ' ILE . 7.2 mm -41.56 118.72 1.87 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.5 0.19 . . . . 0.0 111.34 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -51.73 142.54 40.89 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.514 2.143 . . . . 0.0 112.088 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -50.81 -40.26 57.25 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 122.94 2.427 . . . . 0.0 112.343 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -66.02 -40.85 91.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -16.6 45.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.919 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -116.89 167.15 11.38 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.699 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.424 ' HD2' ' HE ' ' A' ' 81' ' ' ARG . 3.8 mtp85 -138.18 166.99 22.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.7 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.553 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -123.26 112.25 17.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 110.491 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.549 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.8 mp -111.83 122.07 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.483 ' CB ' HD11 ' A' ' 59' ' ' LEU . 77.8 t90 -137.32 135.59 37.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.959 0.409 . . . . 0.0 110.862 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 57.21 54.57 6.66 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.332 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.612 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 55.71 7.11 1.39 Allowed Glycine 0 CA--C 1.529 0.917 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.755 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -123.47 140.17 53.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 117.272 0.536 . . . . 0.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.85 124.2 27.37 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.94 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 52' ' ' LEU . 34.5 mt -78.91 137.37 37.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 110.436 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -90.92 141.51 28.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.693 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -19.92 2.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.261 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.51 -7.93 68.65 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.894 -0.483 . . . . 0.0 111.894 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -73.74 160.62 31.26 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.845 0.355 . . . . 0.0 110.942 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.0 p -118.75 164.58 15.17 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.402 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 27' ' ' GLU . 6.3 mt -76.72 -36.32 57.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.567 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.601 ' H ' ' HA ' ' A' ' 29' ' ' SER . 49.1 p -78.05 -10.43 59.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.494 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -53.3 -62.91 1.35 Allowed 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.03 6.1 43.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.384 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.8 34.92 1.46 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.6 mm -51.24 99.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.012 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -67.29 156.1 37.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.847 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.44 ' CD ' ' H ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -52.28 -48.82 65.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.655 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -80.13 55.37 2.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.0 t -110.63 138.97 46.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.503 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.5 m -91.72 99.04 12.0 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.039 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 76' ' ' LEU . 4.2 mm? -87.22 151.36 23.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.392 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.499 ' CG ' HD21 ' A' ' 105' ' ' LEU . 80.6 m-70 -121.76 117.05 25.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.928 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.433 HD12 ' CD2' ' A' ' 52' ' ' LEU . 5.0 tt -108.2 145.81 33.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.22 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' HD12 ' A' ' 96' ' ' LEU . 29.8 m -115.24 134.22 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.341 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mt -104.24 131.12 51.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.754 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.424 ' HE ' ' HD2' ' A' ' 51' ' ' ARG . 43.0 mtt180 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.324 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.64 20.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.456 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 56.23 60.0 3.4 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.591 ' O ' HD23 ' A' ' 96' ' ' LEU . 23.9 tt0 169.03 -80.48 0.0 OUTLIER 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.021 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 97' ' ' ILE . 13.9 pt-20 -55.42 -24.12 28.69 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.473 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 94' ' ' GLU . 1.4 pt? -42.7 -19.35 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.422 ' N ' HD23 ' A' ' 96' ' ' LEU . 3.4 mt -90.48 -58.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.642 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -61.66 -32.4 72.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.125 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.603 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -81.08 -28.92 35.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.543 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -70.8 -22.36 62.37 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.612 HG23 ' HA2' ' A' ' 56' ' ' GLY . 19.8 mt -88.25 -30.71 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.259 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -92.83 -11.75 32.88 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -177.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.87 HD12 ' N ' ' A' ' 104' ' ' SER . 3.2 pp -96.2 -70.02 0.73 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.122 -1.031 . . . . 0.0 113.136 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.87 ' N ' HD12 ' A' ' 103' ' ' LEU . 26.9 m -100.41 -10.46 21.15 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.599 HD12 ' H ' ' A' ' 56' ' ' GLY . 3.9 mm? . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.479 HE21 ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.739 0.304 . . . . 0.0 111.296 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.451 HG23 ' CG2' ' A' ' 26' ' ' VAL . 30.8 pt -75.75 178.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -122.12 131.53 54.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.928 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.23 135.67 54.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.405 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -113.0 155.23 25.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.42 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.5 p -112.81 168.67 9.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.532 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 17' ' ' LEU . 9.7 tp -70.53 -3.92 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.298 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.5 p -104.99 -17.96 14.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.348 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.42 45.35 1.84 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 26.2 tptp -105.65 122.17 45.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -94.01 110.69 22.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.236 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.943 HD13 HD11 ' A' ' 39' ' ' ILE . 2.0 mp -115.99 133.31 62.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.0 m -106.27 127.81 53.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.118 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.401 HD12 HG11 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -132.03 135.67 46.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.748 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.44 96.35 6.03 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.706 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.451 ' CG2' HG23 ' A' ' 12' ' ' ILE . 33.9 m -124.01 177.25 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.256 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.685 ' O ' HD12 ' A' ' 65' ' ' LEU . 11.1 mt-10 -94.98 154.54 17.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.688 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -62.43 -18.67 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.504 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.643 ' HA ' ' H ' ' A' ' 66' ' ' SER . 11.9 t -116.5 4.25 13.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.327 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -48.34 161.46 0.12 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.719 0.295 . . . . 0.0 110.953 -179.763 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.1 p -94.4 157.28 16.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.796 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 28.8 mm -52.33 -47.96 45.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.171 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -47.19 -43.61 21.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.213 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -42.34 95.05 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.84 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -58.86 -49.76 81.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.566 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -62.45 -60.54 3.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.196 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.7 p -48.06 -52.49 19.94 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.533 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -51.21 -32.85 25.3 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.226 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.943 HD11 HD13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -74.17 -43.5 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.807 179.767 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.492 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -59.56 -29.37 67.88 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.531 -179.138 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.492 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 25.8 t70 -71.17 -28.49 64.29 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -92.76 -36.23 13.0 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.155 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.557 ' OE1' HD13 ' A' ' 39' ' ' ILE . 8.6 mp0 -115.05 1.8 14.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.42 -45.8 1.84 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.415 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 6.2 mm -37.49 111.89 0.57 Allowed Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 122.086 0.154 . . . . 0.0 111.386 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 2.8 Cg_endo -50.52 137.32 40.61 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 122.51 2.14 . . . . 0.0 111.921 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.437 ' HD3' ' CB ' ' A' ' 40' ' ' GLN . 2.5 Cg_endo -51.49 -44.27 44.83 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.732 2.288 . . . . 0.0 112.676 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.67 -18.2 65.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.352 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -84.29 -5.61 59.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.803 ' NE2' HD21 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -123.66 164.96 18.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.965 0.412 . . . . 0.0 111.226 -178.691 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.785 ' O ' HD12 ' A' ' 78' ' ' LEU . 8.4 mtp85 -137.95 162.43 34.09 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -117.94 109.89 17.05 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.58 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.8 mp -111.28 117.39 54.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.677 ' HB3' HD11 ' A' ' 59' ' ' LEU . 62.1 t-105 -130.53 135.08 47.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.966 0.412 . . . . 0.0 111.057 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 58.94 57.34 3.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.272 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.523 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 51.89 11.54 0.96 Allowed Glycine 0 CA--C 1.529 0.919 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.854 178.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -127.75 141.36 51.61 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 117.226 0.513 . . . . 0.0 111.116 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -77.34 126.59 31.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.988 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' ' 54' ' ' TRP . 36.3 mt -86.13 146.29 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.095 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -88.74 133.28 34.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.085 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 6.2 p-10 -49.83 -21.27 1.07 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.918 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.16 -0.51 88.72 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 121.292 -0.48 . . . . 0.0 111.978 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 mtt85 -74.81 164.06 26.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.841 0.353 . . . . 0.0 110.992 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.9 p -115.48 162.56 17.01 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.525 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.9 mt -71.14 -37.82 72.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.871 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.643 ' H ' ' HA ' ' A' ' 29' ' ' SER . 44.5 t -72.43 -10.39 59.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -56.2 -61.51 2.35 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -86.15 -0.85 56.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.282 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 75.8 45.61 0.12 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.295 0.569 . . . . 0.0 109.757 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.2 mt -82.89 143.77 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.705 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -137.37 179.86 6.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.343 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -52.51 -48.62 65.9 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.901 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -74.63 37.89 0.11 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.346 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.1 t -118.18 143.72 46.29 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.817 0.341 . . . . 0.0 110.639 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -103.44 104.38 14.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.148 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.6 mp -85.34 157.26 20.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.902 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.557 ' O ' HD13 ' A' ' 52' ' ' LEU . 8.5 m80 -117.58 107.81 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.676 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.803 HD21 ' NE2' ' A' ' 50' ' ' GLN . 24.8 tp -101.81 135.03 44.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.209 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.453 HG11 HD13 ' A' ' 96' ' ' LEU . 57.2 t -108.56 109.64 29.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.27 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.95 101.73 3.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.345 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 4.4 ttt180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.599 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . . . . . . . . 0 C--O 1.233 0.19 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -153.77 51.97 0.69 Allowed 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.297 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.563 ' HA ' HD21 ' A' ' 96' ' ' LEU . 1.5 tm-20 43.76 71.16 0.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.49 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 19.4 tt0 149.62 -74.22 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.739 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.29 -9.73 19.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.523 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 97' ' ' ILE . 0.4 OUTLIER -79.71 -13.04 59.74 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.565 -179.764 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.63 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.3 mt -94.41 -49.04 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.273 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -65.19 -34.97 79.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.705 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.459 ' CG ' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -77.71 -27.68 50.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.412 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.496 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -80.03 -34.47 38.33 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.529 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 26.3 mt -67.43 -37.34 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.457 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -93.46 -27.18 16.85 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.613 ' HG ' ' N ' ' A' ' 104' ' ' SER . 0.3 OUTLIER -97.35 -52.63 3.74 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.842 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.613 ' N ' ' HG ' ' A' ' 103' ' ' LEU . 75.8 p -97.02 -14.33 21.7 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.529 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 1.9 mm? . . . . . 0 C--N 1.321 -0.655 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.522 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.434 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 7.4 pt20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.759 0.314 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.538 HG23 ' CG2' ' A' ' 26' ' ' VAL . 39.1 pt -74.67 174.02 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -121.92 136.89 54.95 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.73 143.93 49.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.525 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.3 tptm -132.87 125.85 30.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.521 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 64.5 p -71.91 162.46 29.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.017 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -53.29 -47.17 69.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.306 179.604 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.4 p -63.66 -17.07 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.374 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.47 50.98 1.16 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.991 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 28.2 tptp -106.7 114.43 28.53 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -82.73 116.36 22.05 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.692 0.282 . . . . 0.0 110.975 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.8 mt -133.09 128.09 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.584 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 m -104.32 133.49 49.13 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.277 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.439 HD11 HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -132.47 136.65 46.85 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.967 0.413 . . . . 0.0 111.487 -179.594 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.521 ' H ' ' NZ ' ' A' ' 38' ' ' LYS . 1.7 mm-40 -80.58 98.19 7.53 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.493 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.538 ' CG2' HG23 ' A' ' 12' ' ' ILE . 31.8 m -122.15 154.12 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.97 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.694 ' O ' HD12 ' A' ' 65' ' ' LEU . 5.8 mt-10 -68.27 153.37 43.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.18 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.6 t -61.45 -19.15 61.67 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.725 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.665 ' HA ' ' H ' ' A' ' 66' ' ' SER . 6.1 t -118.25 4.65 11.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 160.46 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 111.258 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.496 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.9 p -101.45 162.56 12.81 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.361 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 28.7 mm -57.16 -49.1 80.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.643 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -46.71 -47.1 20.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.717 0.294 . . . . 0.0 110.535 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -63.74 -37.85 88.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.843 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 31' ' ' THR . 86.0 t -61.96 -44.11 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.224 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.43 -64.24 1.01 Allowed 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.952 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.419 ' N ' ' HB3' ' A' ' 47' ' ' PRO . 18.7 p -49.61 -50.62 42.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.461 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.521 ' NZ ' ' H ' ' A' ' 25' ' ' GLU . 17.6 tptp -51.1 -30.32 15.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.027 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.548 ' CG2' ' NE2' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -75.47 -40.13 41.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.309 179.468 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' GLY . 4.3 pt20 -56.95 -27.86 61.57 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.882 0.372 . . . . 0.0 110.177 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.68 -26.11 65.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -92.57 -39.49 11.32 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.08 -0.964 . . . . 0.0 112.326 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.459 ' C ' ' H ' ' A' ' 45' ' ' ILE . 10.0 mm-40 -117.28 3.86 12.6 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.45 -37.61 0.7 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.555 ' HB ' ' NE2' ' A' ' 50' ' ' GLN . 4.8 mm -46.5 122.14 6.7 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -50.33 139.17 36.96 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.872 2.381 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 37' ' ' SER . 2.4 Cg_endo -48.59 -41.16 37.67 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 123.379 2.719 . . . . 0.0 112.887 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -69.45 -14.73 63.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.971 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.57 -15.46 37.34 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.415 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.555 ' NE2' ' HB ' ' A' ' 45' ' ' ILE . 5.8 mt-30 -105.3 138.57 41.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.486 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.518 ' HE ' ' C ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -117.54 145.17 44.43 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.462 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.498 ' HB3' HD12 ' A' ' 59' ' ' LEU . 6.5 mp -119.55 123.07 43.06 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.592 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.509 HG21 HG13 ' A' ' 101' ' ' ILE . 3.7 mp -113.03 122.06 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.091 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.448 ' HB2' HD11 ' A' ' 59' ' ' LEU . 32.4 t-105 -126.94 127.16 44.42 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.855 0.36 . . . . 0.0 110.206 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 56.39 60.48 3.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.494 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.633 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 55.49 6.97 1.2 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.865 178.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -124.29 138.1 54.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.237 0.518 . . . . 0.0 111.109 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.77 122.77 23.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.968 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 52' ' ' LEU . 67.5 mt -69.06 126.75 30.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -85.18 141.59 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.343 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.465 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -50.19 -16.29 0.3 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.15 -178.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.84 -1.0 68.17 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.902 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -75.84 148.28 38.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.82 0.343 . . . . 0.0 111.0 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -110.96 167.88 9.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.1 mt -80.85 -46.18 15.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.473 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.665 ' H ' ' HA ' ' A' ' 29' ' ' SER . 23.0 t -68.76 -9.49 51.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.571 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -50.95 -61.78 2.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.958 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -103.72 -2.69 26.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.425 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.8 m120 68.21 45.03 1.31 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.259 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.478 ' CG2' HD22 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -53.23 -17.99 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.713 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 58.4 -159.83 0.27 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.62 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 5.5 ptm180 -101.51 -38.75 7.84 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.753 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.85 58.4 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 0.0 110.717 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.4 t -131.56 152.92 50.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.685 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.57 103.93 14.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.329 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.446 HD12 HD23 ' A' ' 52' ' ' LEU . 3.0 mm? -81.85 105.02 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.876 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.9 109.62 4.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.748 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 50' ' ' GLN . 6.8 tt -117.92 152.17 35.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.434 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.543 ' N ' HD23 ' A' ' 78' ' ' LEU . 18.5 m -130.15 133.66 63.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.8 mt -91.91 125.38 36.59 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.784 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.409 HH12 ' CD1' ' A' ' 97' ' ' ILE . 4.2 mtp85 . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.415 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.12 -65.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.43 ' HA ' HD21 ' A' ' 96' ' ' LEU . 18.8 tt0 -166.5 -40.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.435 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -111.92 -47.06 3.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.454 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.83 -10.8 10.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.93 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.709 HD12 ' N ' ' A' ' 97' ' ' ILE . 0.8 OUTLIER -75.79 -9.66 58.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.507 179.558 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.709 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.0 mt -92.5 -58.45 3.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.597 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -58.48 -34.7 71.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.603 ' O ' HD23 ' A' ' 103' ' ' LEU . 2.3 pttp -80.23 -28.82 38.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.317 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -69.4 -19.99 63.81 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.633 HG23 ' HA2' ' A' ' 56' ' ' GLY . 21.2 mt -88.85 -33.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.093 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.67 -12.36 34.35 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.872 HD12 ' N ' ' A' ' 104' ' ' SER . 3.0 pp -96.27 -68.55 0.79 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 119.261 -0.976 . . . . 0.0 113.055 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.872 ' N ' HD12 ' A' ' 103' ' ' LEU . 48.5 t -99.65 -10.9 21.42 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -177.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.045 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.885 0.374 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.416 HD11 HD11 ' A' ' 24' ' ' LEU . 44.8 pt -75.15 174.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -122.89 132.22 54.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.868 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.66 134.06 55.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.805 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -130.6 117.06 18.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.014 0.435 . . . . 0.0 110.913 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.2 p -73.75 172.24 11.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.39 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 100' ' ' ALA . 13.2 tp -70.88 -9.85 58.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.3 p -84.71 -20.6 30.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.524 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.53 27.51 7.56 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 3.7 tmtm? -96.32 121.73 38.43 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -92.95 131.12 38.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 0.0 110.651 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 mp -132.74 129.25 58.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.525 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -106.62 120.6 42.39 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.287 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -126.71 140.69 52.2 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 -179.594 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -86.16 113.78 22.48 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.455 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 m -138.95 155.1 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.053 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.634 ' O ' HD12 ' A' ' 65' ' ' LEU . 4.7 mm-40 -68.68 161.23 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.212 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 18.2 t -64.43 -16.89 63.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.611 ' HA ' ' H ' ' A' ' 66' ' ' SER . 2.9 t -117.6 4.74 12.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.558 -178.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.48 157.0 0.07 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 111.002 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 64' ' ' THR . 13.2 p -106.66 164.71 11.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.975 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 38.1 mm -50.97 -53.2 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.889 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -42.34 -50.56 5.04 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.979 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -63.86 -36.86 85.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.519 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.12 -50.58 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.062 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -58.78 -61.32 2.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.229 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 40' ' ' GLN . 35.0 p -47.82 -47.62 31.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.457 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -52.1 -33.42 39.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.103 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 40' ' ' GLN . 0.3 OUTLIER -73.49 -47.58 44.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.115 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.504 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.28 -30.06 61.98 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -178.892 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.504 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 17.3 t70 -74.59 -27.56 60.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.186 0.517 . . . . 0.0 109.678 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -92.32 -41.54 10.31 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.228 -0.897 . . . . 0.0 112.364 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.478 ' OE1' HD13 ' A' ' 39' ' ' ILE . 7.6 mp0 -115.76 4.06 13.94 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' ILE . . . 78.66 -47.03 2.96 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.738 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.777 HG21 HD22 ' A' ' 80' ' ' LEU . 8.3 mm -31.57 129.15 0.3 Allowed Pre-proline 0 N--CA 1.468 0.439 0 C-N-CA 122.356 0.262 . . . . 0.0 111.292 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.2 Cg_exo -72.63 136.47 25.83 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.493 2.128 . . . . 0.0 112.201 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' A' ' 40' ' ' GLN . 2.7 Cg_endo -54.02 -42.06 70.03 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -62.58 -7.39 4.63 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.426 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -112.01 -5.68 14.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.8 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.412 ' HB3' HD21 ' A' ' 78' ' ' LEU . 8.5 mt-30 -96.89 131.98 43.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.666 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.62 ' HB3' HG23 ' A' ' 79' ' ' VAL . 3.6 tpt180 -112.69 139.37 48.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.502 HD22 ' C ' ' A' ' 51' ' ' ARG . 4.6 mm? -111.71 113.72 26.27 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.668 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.452 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.5 mp -115.17 124.15 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.529 ' HB3' HD11 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -142.11 135.9 29.54 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.131 0.491 . . . . 0.0 110.749 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.5 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 59.06 55.2 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.586 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.739 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 56.92 5.43 1.34 Allowed Glycine 0 CA--C 1.528 0.886 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.722 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -128.19 146.5 50.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.21 0.505 . . . . 0.0 111.278 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.96 123.23 26.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.893 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 54' ' ' TRP . 54.5 mt -72.77 135.74 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.104 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -90.89 137.24 32.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.717 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.467 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 13.1 t70 -45.69 -28.05 0.93 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.945 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.3 2.62 61.29 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.748 HH22 HD12 ' A' ' 70' ' ' ILE . 3.9 tmt_? -78.42 147.75 33.89 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 31' ' ' THR . 2.8 p -117.54 159.77 22.32 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.749 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.1 mt -68.93 -42.29 76.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.599 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.611 ' H ' ' HA ' ' A' ' 29' ' ' SER . 33.6 t -69.25 -10.78 59.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.161 -179.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -58.12 -61.03 2.85 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -86.57 -1.86 58.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.494 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 70.52 23.16 4.88 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.134 0.492 . . . . 0.0 109.841 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.748 HD12 HH22 ' A' ' 63' ' ' ARG . 4.9 mt -53.47 132.34 16.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.557 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.5 -146.98 0.15 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.977 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -100.15 -38.42 8.53 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.685 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -76.17 7.58 4.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.508 ' CB ' HG23 ' A' ' 70' ' ' ILE . 74.3 p -66.74 139.72 57.83 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.5 m -101.87 103.03 13.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.101 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.482 HD21 HD13 ' A' ' 70' ' ' ILE . 3.7 mm? -90.4 157.98 17.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.438 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.95 115.95 24.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.845 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.484 HD12 HD21 ' A' ' 52' ' ' LEU . 3.8 tt -113.95 89.85 3.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.62 HG23 ' HB3' ' A' ' 51' ' ' ARG . 25.8 m -79.56 133.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.777 HD22 HG21 ' A' ' 45' ' ' ILE . 57.4 mt -94.42 117.77 30.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.266 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.82 179.345 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -93.88 -55.0 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.298 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.677 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.1 tm-20 -178.88 -44.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.186 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.55 -47.26 3.66 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.793 0.33 . . . . 0.0 110.381 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -56.08 -24.95 43.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.001 -179.361 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.689 HD23 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -58.41 -17.1 17.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.689 ' N ' HD23 ' A' ' 96' ' ' LEU . 2.3 mt -96.24 -50.82 11.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 8.7 ptm180 -55.13 -43.42 74.14 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.729 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 103' ' ' LEU . 33.1 mtmm -68.33 -73.73 0.14 Allowed 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 120.56 -0.456 . . . . 0.0 109.975 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.596 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -33.96 -29.14 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.739 HG23 ' HA2' ' A' ' 56' ' ' GLY . 25.2 mt -76.06 -54.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.018 0.437 . . . . 0.0 110.344 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -83.42 -10.21 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.087 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 99' ' ' LYS . 65.1 tp -92.76 -72.15 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.33 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.4 m -97.2 -19.65 18.46 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.5 HD11 ' H ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.488 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.768 0.318 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.539 HD11 HD11 ' A' ' 24' ' ' LEU . 22.0 pt -144.78 168.66 9.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.043 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -112.3 117.64 33.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.215 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.15 131.08 55.99 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.9 ttpm? -124.87 117.14 23.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.119 0.485 . . . . 0.0 111.485 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 70.2 p -70.74 166.29 21.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.418 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.608 HD23 ' HB2' ' A' ' 91' ' ' ALA . 19.4 tp -64.59 -21.28 66.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.495 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p -74.35 -17.32 60.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.409 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.54 28.57 8.89 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 1.8 tmmm? -100.13 131.53 46.02 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 m -92.06 132.58 36.46 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.636 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.818 HD13 HD11 ' A' ' 39' ' ' ILE . 16.9 mt -133.5 129.56 56.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.986 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.7 m -106.46 126.58 52.43 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.155 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD11 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -133.02 141.81 48.47 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.217 -179.468 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.432 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 1.7 mp0 -81.56 112.4 18.75 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.605 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.92 -173.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.294 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.623 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.2 mp0 -107.31 161.21 15.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.845 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.2 m -64.7 -20.45 66.33 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.062 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.644 ' HA ' ' H ' ' A' ' 66' ' ' SER . 84.2 p -117.87 4.14 12.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.491 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.17 156.01 0.11 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.704 0.288 . . . . 0.0 110.659 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -98.19 160.28 14.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.537 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.416 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 23.8 mm -48.35 -50.82 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.795 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -43.28 15.95 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.737 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -66.63 -37.49 84.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.261 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.82 -49.9 77.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.077 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -57.65 -62.55 1.71 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.257 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 p -45.18 -48.83 12.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.505 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -36.3 33.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.182 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.818 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -68.6 -43.96 83.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.545 179.767 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.44 -29.3 58.38 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.487 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.35 -23.42 60.22 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -92.38 -42.61 9.69 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.236 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -120.83 5.98 10.45 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.77 -41.31 1.91 Allowed Glycine 0 CA--C 1.529 0.961 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.895 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.466 HG21 HD22 ' A' ' 80' ' ' LEU . 9.9 mm -35.51 123.99 0.63 Allowed Pre-proline 0 N--CA 1.468 0.446 0 N-CA-C 111.593 0.219 . . . . 0.0 111.593 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.3 Cg_exo -70.84 135.21 27.37 Favored 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 122.471 2.114 . . . . 0.0 111.908 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.75 -39.44 67.13 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 123.033 2.489 . . . . 0.0 112.504 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.2 -2.5 2.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 112.179 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -115.94 2.18 13.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.576 ' HB3' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -127.84 171.11 12.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.157 0.504 . . . . 0.0 111.338 -178.897 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.609 ' NE ' HD11 ' A' ' 97' ' ' ILE . 1.6 ptm85 -150.89 176.72 10.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.644 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.749 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -134.12 128.27 33.79 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.291 -179.48 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.564 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -113.95 128.36 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -137.59 131.49 31.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.157 0.504 . . . . 0.0 111.106 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.467 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 59.4 59.6 2.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.733 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.541 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 52.88 9.36 0.78 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-N 116.256 -0.429 . . . . 0.0 113.08 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -133.21 141.76 48.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.384 0.592 . . . . 0.0 110.957 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -70.21 128.79 37.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.902 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.749 HD12 ' HB3' ' A' ' 52' ' ' LEU . 53.6 mt -67.12 -148.13 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.922 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' H ' ' HB3' ' A' ' 59' ' ' LEU . 25.1 tt0 -174.4 140.4 0.64 Allowed 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.479 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 22.5 m-20 -48.48 -23.61 1.02 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.498 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.28 -0.3 89.46 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.741 -0.543 . . . . 0.0 111.741 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -86.81 146.13 26.35 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.4 p -114.85 162.66 16.6 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.12 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.5 mt -69.89 -36.08 75.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.644 ' H ' ' HA ' ' A' ' 29' ' ' SER . 84.3 p -78.55 -9.97 59.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.789 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -55.66 -61.84 2.08 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.052 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.0 3.65 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.231 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 m120 70.19 33.27 2.68 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.216 0.531 . . . . 0.0 109.924 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.78 107.3 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.326 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -72.42 157.33 37.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.509 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' A' ' 72' ' ' ARG . 1.8 ptt-85 -49.28 -42.97 42.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.285 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.37 62.89 6.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.654 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.7 m -122.56 151.43 41.41 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.8 m -98.26 97.65 9.02 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.644 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -84.97 155.76 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.801 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.49 ' O ' HD23 ' A' ' 52' ' ' LEU . 59.1 m-70 -120.43 108.08 13.68 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.514 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 16' ' ' THR . 3.8 tt -102.58 140.19 37.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.005 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.757 HG11 HD13 ' A' ' 96' ' ' LEU . 73.3 t -108.3 136.43 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.272 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.576 HD23 ' HB3' ' A' ' 50' ' ' GLN . 14.9 mt -119.33 117.47 28.64 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.148 179.606 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.608 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.779 0.323 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.86 -43.31 1.23 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.172 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.565 ' O ' HD11 ' A' ' 96' ' ' LEU . 3.4 tt0 169.13 -51.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.757 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -102.06 -49.97 3.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.48 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.2 -39.89 73.16 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.188 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.827 HD12 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -40.67 -24.56 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.32 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.827 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.1 mt -77.51 -61.75 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.18 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.573 ' HA ' HD12 ' A' ' 101' ' ' ILE . 6.3 ptp180 -66.8 -25.57 66.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.291 0.567 . . . . 0.0 109.631 178.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 35.9 tptt -73.6 -40.77 63.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.638 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.416 ' HB2' HD22 ' A' ' 17' ' ' LEU . . . -72.88 -23.41 60.73 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.967 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 98' ' ' ARG . 38.9 mt -75.73 -36.2 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.646 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.64 -10.86 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.629 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 1.2 mm? -92.34 -72.85 0.57 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.966 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.0 m -98.73 -14.73 19.63 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.993 -178.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.593 HE21 ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.149 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.436 HD11 ' CD1' ' A' ' 24' ' ' LEU . 12.2 pt -145.15 164.56 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.804 0.335 . . . . 0.0 110.32 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -109.53 121.84 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.051 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.35 117.25 32.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.708 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.6 152.48 21.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.061 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 49.2 p -112.66 159.93 18.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.429 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -52.49 -47.17 66.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.835 179.58 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.5 p -61.52 -20.09 62.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.796 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.36 47.2 2.05 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.09 130.55 53.97 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 m -92.31 125.54 37.02 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.692 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.1 mt -132.73 133.85 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.623 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.493 ' C ' HD23 ' A' ' 24' ' ' LEU . 9.4 m -110.22 128.38 55.47 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.566 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.493 HD23 ' C ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -133.61 141.79 47.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.483 179.589 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.58 94.62 9.09 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.402 HG22 HG12 ' A' ' 12' ' ' ILE . 2.1 m -129.11 160.09 40.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.635 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.711 ' O ' HD12 ' A' ' 65' ' ' LEU . 22.5 mt-10 -73.25 150.43 42.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 29.5 m -66.17 -13.16 59.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.748 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.637 ' HA ' ' H ' ' A' ' 66' ' ' SER . 82.7 p -119.81 3.42 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.765 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.38 172.12 0.07 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.4 p -99.09 162.13 13.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.206 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.5 mm -57.37 -37.54 57.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.79 -47.09 64.36 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.141 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.66 -44.13 97.03 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.668 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -59.4 -45.93 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.527 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' C ' ' HB3' ' A' ' 47' ' ' PRO . 47.3 mttt -62.61 -59.21 5.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.074 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.8 p -48.47 -45.29 36.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.938 0.399 . . . . 0.0 110.071 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -30.06 64.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.848 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -65.84 -48.13 83.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.494 179.53 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -67.39 -18.46 65.13 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.275 -179.654 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.09 -38.07 53.07 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -88.28 -36.47 16.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.012 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 45' ' ' ILE . 7.9 mp0 -115.34 8.28 15.35 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 66.64 -51.26 0.21 Allowed Glycine 0 CA--C 1.53 0.991 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.955 178.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.668 HG21 HD21 ' A' ' 80' ' ' LEU . 83.7 mt -38.2 127.37 1.04 Allowed Pre-proline 0 CA--C 1.532 0.288 0 C-N-CA 122.351 0.26 . . . . 0.0 111.187 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.491 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 2.6 Cg_endo -44.6 142.47 4.73 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 123.056 2.504 . . . . 0.0 112.544 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 3.1 Cg_exo -69.72 -39.62 6.36 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.652 2.235 . . . . 0.0 111.925 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.23 -33.73 75.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.71 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -10.72 32.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.832 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.548 HE21 HG21 ' A' ' 45' ' ' ILE . 39.3 mt-30 -116.18 161.87 18.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.913 0.387 . . . . 0.0 110.699 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.672 ' HE ' ' HE ' ' A' ' 81' ' ' ARG . 4.9 mtt-85 -137.44 162.33 33.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.54 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.685 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -121.98 112.0 17.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.965 0.412 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.543 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.6 mp -114.92 123.77 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -151.18 138.95 19.78 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.937 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.686 ' H ' HD21 ' A' ' 105' ' ' LEU . . . 61.66 39.07 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.479 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.597 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 66.65 -4.0 3.3 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.313 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -112.3 125.39 54.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.907 0.384 . . . . 0.0 110.704 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -71.15 130.78 42.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.647 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 52' ' ' LEU . 19.0 mt -89.26 149.94 22.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.558 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -129.43 168.85 15.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -56.33 -32.68 64.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.55 -20.86 79.7 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -72.96 149.98 42.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.802 0.334 . . . . 0.0 110.585 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.35 162.36 16.16 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.606 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.711 HD12 ' O ' ' A' ' 27' ' ' GLU . 9.1 mt -72.4 -45.79 58.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.368 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.637 ' H ' ' HA ' ' A' ' 29' ' ' SER . 43.6 t -68.02 -10.19 51.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -57.44 -20.67 31.93 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.993 0.425 . . . . 0.0 110.376 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -126.16 1.89 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.4 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 76.67 37.66 0.3 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.707 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.63 HG23 ' CB ' ' A' ' 74' ' ' SER . 75.9 mt -77.46 95.32 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.167 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.38 -129.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.057 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -101.78 -47.08 4.72 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.372 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -77.76 48.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.749 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.63 ' CB ' HG23 ' A' ' 70' ' ' ILE . 5.8 m -110.0 139.2 45.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.769 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.4 m -94.64 100.16 12.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.413 HD22 HD12 ' A' ' 12' ' ' ILE . 4.2 mp -81.35 121.76 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.722 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.453 ' O ' HD23 ' A' ' 52' ' ' LEU . 13.0 m80 -91.13 111.87 23.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.029 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 79' ' ' VAL . 1.2 tt -115.64 148.26 39.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.231 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.468 ' N ' ' HG ' ' A' ' 78' ' ' LEU . 22.6 m -121.7 127.91 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.668 HD21 HG21 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -92.87 138.17 31.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.795 -179.584 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.672 ' HE ' ' HE ' ' A' ' 51' ' ' ARG . 10.9 mtt-85 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.389 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.675 0.274 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -154.55 37.36 0.42 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.197 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 56.86 57.73 4.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.536 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.641 ' O ' HD23 ' A' ' 96' ' ' LEU . 1.1 mm-40 166.05 -87.46 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.256 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 97' ' ' ILE . 8.9 pt-20 -48.06 -31.33 5.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.991 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 94' ' ' GLU . 0.8 OUTLIER -39.99 -24.4 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.265 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.472 ' N ' HD23 ' A' ' 96' ' ' LEU . 2.5 mt -87.62 -63.64 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.762 0.315 . . . . 0.0 110.818 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.537 ' HA ' HD12 ' A' ' 101' ' ' ILE . 10.3 ptm180 -63.19 -32.55 73.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.453 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 6.5 ptmm? -75.43 -28.41 59.34 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.493 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -74.06 -25.24 59.72 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 98' ' ' ARG . 18.4 mt -79.41 -31.74 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -90.98 -10.09 43.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.44 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -94.32 -73.31 0.58 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.321 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.8 p -98.99 -9.38 24.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.686 HD21 ' H ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.206 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.973 -178.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.551 ' HB3' HG22 ' A' ' 23' ' ' THR . 20.4 mt-30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.818 0.342 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.46 HG12 HG22 ' A' ' 26' ' ' VAL . 28.6 pt -73.8 179.0 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.692 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -119.2 128.66 54.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.732 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.29 132.01 56.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.721 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 5.9 ttpt -122.58 118.1 27.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.91 0.386 . . . . 0.0 111.023 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 41.0 p -68.29 169.0 11.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.496 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 100' ' ' ALA . 27.3 tp -66.14 -22.62 66.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.471 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -79.69 -20.44 46.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.701 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.15 42.75 2.34 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 19.3 tptm -102.94 124.97 49.44 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.2 121.3 27.75 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.4 mt -132.45 130.92 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.772 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.551 HG22 ' HB3' ' A' ' 11' ' ' GLN . 25.2 m -106.72 128.46 54.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.316 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -132.38 140.12 48.37 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.656 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -83.15 104.35 13.27 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.46 HG22 HG12 ' A' ' 12' ' ' ILE . 20.6 m -131.62 149.66 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.229 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.685 ' O ' HD12 ' A' ' 65' ' ' LEU . 4.4 mt-10 -71.56 163.34 27.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.083 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.5 p -68.33 -21.74 64.73 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.767 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.612 ' HA ' ' H ' ' A' ' 66' ' ' SER . 26.8 t -114.73 4.15 14.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.421 -178.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.53 160.04 0.19 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.0 p -97.73 157.38 16.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 mm -53.18 -48.08 54.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.158 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -50.96 -45.4 60.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.281 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -64.03 -42.99 96.89 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.748 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -58.83 -46.53 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.604 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 39' ' ' ILE . 5.2 mtmp? -63.54 -60.36 3.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.358 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.1 p -46.9 -49.74 19.92 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.88 0.372 . . . . 0.0 110.155 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.28 -37.52 36.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.86 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -66.15 -40.27 86.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.551 179.635 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.419 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -61.63 -27.75 68.89 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.758 0.313 . . . . 0.0 110.874 -179.719 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.7 -25.83 49.69 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.8 -45.21 10.51 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 114.515 -1.22 . . . . 0.0 111.822 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -123.02 10.56 9.45 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 76.48 -43.36 1.82 Allowed Glycine 0 CA--C 1.526 0.777 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.71 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.726 HG21 HD22 ' A' ' 80' ' ' LEU . 8.5 mm -35.03 118.48 0.58 Allowed Pre-proline 0 N--CA 1.466 0.347 0 CA-C-O 120.518 0.199 . . . . 0.0 111.3 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -69.4 138.82 39.93 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.421 2.081 . . . . 0.0 112.089 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -49.76 -36.17 41.25 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.971 2.448 . . . . 0.0 112.128 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.66 -37.83 82.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.372 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -73.53 -10.41 59.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.332 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.432 HE22 ' HB ' ' A' ' 45' ' ' ILE . 1.3 pt20 -128.63 176.09 8.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.242 0.544 . . . . 0.0 111.717 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.519 HH12 HH21 ' A' ' 81' ' ' ARG . 0.0 OUTLIER -155.04 173.38 16.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.61 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' A' ' 59' ' ' LEU . 3.3 mm? -118.7 115.43 24.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.674 0.273 . . . . 0.0 111.099 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.525 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.8 mp -109.98 116.01 51.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.638 ' HB3' HD11 ' A' ' 59' ' ' LEU . 47.8 t-105 -134.54 135.77 42.57 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.902 0.382 . . . . 0.0 111.235 -179.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.483 ' N ' HD12 ' A' ' 105' ' ' LEU . . . 59.37 53.35 5.29 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.333 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.452 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 54.9 7.82 1.17 Allowed Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.425 -0.352 . . . . 0.0 112.43 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -124.61 132.2 53.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -72.14 129.34 38.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.935 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' A' ' 52' ' ' LEU . 46.6 mt -86.44 149.44 25.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.73 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.7 148.88 25.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.769 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -51.7 -18.42 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.571 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.27 -7.31 67.71 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.057 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 154.67 41.65 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 117.009 0.405 . . . . 0.0 110.428 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.0 p -116.18 165.57 13.0 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 27' ' ' GLU . 6.9 mt -81.36 -39.51 24.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.383 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.612 ' H ' ' HA ' ' A' ' 29' ' ' SER . 66.4 p -73.19 -10.52 59.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.267 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -55.15 -62.01 1.95 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.77 3.52 47.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.412 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.54 29.29 2.67 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.254 0.55 . . . . 0.0 109.957 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.7 mt -55.17 108.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.244 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -76.85 -156.24 0.07 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.015 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.446 ' HG2' ' H ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -88.66 -44.83 10.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.682 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' H ' ' HG2' ' A' ' 72' ' ' ARG . 28.8 mm-40 -79.08 49.3 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 0.0 110.017 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.8 p -106.11 134.2 49.61 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.877 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.7 m -90.07 94.97 10.0 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.743 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.59 139.61 30.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.524 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.44 115.48 30.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.573 HD12 HD21 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -103.38 133.56 48.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.553 -179.375 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.447 HG13 HD12 ' A' ' 96' ' ' LEU . 2.5 t -99.74 132.69 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.133 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.726 HD22 HG21 ' A' ' 45' ' ' ILE . 92.5 mt -117.55 129.96 56.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.519 HH21 HH12 ' A' ' 51' ' ' ARG . 3.9 ttm180 . . . . . 0 C--O 1.233 0.199 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.312 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.654 0.264 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -148.25 37.4 0.85 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.698 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 94' ' ' GLU . 3.8 mt-10 54.41 57.58 5.69 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.411 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.824 ' H ' HD22 ' A' ' 96' ' ' LEU . 3.7 tm-20 168.84 -85.35 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 97' ' ' ILE . 6.8 pt-20 -53.16 -35.82 60.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.198 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.824 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.3 pt? -33.84 -28.08 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.648 ' H ' HD23 ' A' ' 96' ' ' LEU . 3.1 mt -95.42 -48.9 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.424 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.549 ' CG ' ' N ' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -53.66 -49.9 66.94 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -179.369 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.549 ' N ' ' CG ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -65.78 -70.54 0.23 Allowed 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.782 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -33.87 -38.65 0.06 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.472 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 22.3 mt -66.27 -47.74 83.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 120.927 0.394 . . . . 0.0 110.391 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -87.45 -10.41 51.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.072 -179.274 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 99' ' ' LYS . 17.6 mt -90.21 -73.32 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.2 t -100.57 -10.4 21.04 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 105' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.719 -178.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.793 0.33 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.407 HG12 HG22 ' A' ' 26' ' ' VAL . 40.1 pt -74.38 176.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.0 134.87 53.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.866 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.34 135.45 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.343 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.7 ttpt -132.14 122.36 25.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.046 0.45 . . . . 0.0 110.98 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.4 p -78.77 175.4 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.765 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -57.19 -48.36 78.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.601 179.179 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.452 ' H ' HG23 ' A' ' 18' ' ' THR . 6.8 p -62.12 -17.91 59.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.711 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.27 43.63 3.43 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 10.7 tptp -90.58 111.21 22.43 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -81.45 118.55 22.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.635 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -131.34 128.06 60.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.387 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 m -105.62 128.07 53.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.44 137.34 47.23 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -82.36 103.9 12.26 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.778 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG22 HG12 ' A' ' 12' ' ' ILE . 22.2 m -130.52 172.71 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.447 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.731 ' O ' HD12 ' A' ' 65' ' ' LEU . 23.3 mt-10 -87.0 153.68 21.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.933 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -64.31 -17.0 63.25 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.539 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.591 ' HA ' ' H ' ' A' ' 66' ' ' SER . 3.8 m -118.66 3.92 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.075 -178.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.89 162.87 0.07 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 110.621 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.3 p -96.77 158.96 15.18 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.462 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 mm -55.91 -46.67 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.424 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -48.06 -43.73 30.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.697 0.284 . . . . 0.0 110.661 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -37.86 88.5 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.77 -44.11 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.54 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -63.09 -64.28 0.96 Allowed 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.287 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.3 p -45.34 -53.27 8.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.888 0.375 . . . . 0.0 110.556 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.39 -35.54 19.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.338 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.457 HG21 ' NE2' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -64.57 -44.53 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -62.06 -27.22 68.75 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-O 120.647 0.26 . . . . 0.0 111.286 -179.467 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 14.0 t70 -73.29 -31.42 64.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -91.91 -35.9 13.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.221 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -117.22 3.67 12.63 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.41 ' CA ' ' O ' ' A' ' 40' ' ' GLN . . . 74.29 -45.78 1.51 Allowed Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.437 ' H ' HG12 ' A' ' 45' ' ' ILE . 5.0 mm -41.04 117.07 1.48 Allowed Pre-proline 0 CA--C 1.531 0.248 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.08 143.75 17.62 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.603 2.202 . . . . 0.0 112.237 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -54.2 -40.93 80.0 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.671 2.247 . . . . 0.0 112.026 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.27 -36.03 82.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.176 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -17.98 64.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.272 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.457 ' NE2' HG21 ' A' ' 39' ' ' ILE . 1.5 mt-30 -109.39 152.43 25.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.1 0.476 . . . . 0.0 111.396 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.33 159.21 42.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.149 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 53' ' ' ILE . 5.2 mp -118.81 121.17 39.42 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.299 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.596 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -117.63 124.85 73.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.449 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.525 ' HB3' HD11 ' A' ' 59' ' ' LEU . 66.8 t90 -150.24 143.14 24.78 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.1 0.476 . . . . 0.0 111.465 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 64.12 53.4 1.82 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.99 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.595 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 57.09 5.8 1.62 Allowed Glycine 0 CA--C 1.528 0.845 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.618 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -136.45 156.84 48.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.125 0.463 . . . . 0.0 111.048 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.446 ' OE1' HD11 ' A' ' 53' ' ' ILE . 22.9 tt0 -84.04 127.57 33.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.297 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 54' ' ' TRP . 31.5 mt -72.32 129.67 38.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.506 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -81.08 133.02 35.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.652 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -51.75 -27.53 12.34 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.585 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.3 -3.45 85.7 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -78.78 157.63 28.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.811 0.338 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.4 p -114.65 170.13 8.55 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.5 mt -74.84 -41.03 60.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.789 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.591 ' H ' ' HA ' ' A' ' 29' ' ' SER . 17.4 p -69.14 -10.13 56.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.659 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.77 -28.54 49.54 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.132 0.491 . . . . 0.0 109.959 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -126.24 -2.48 6.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.572 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 75.82 33.98 0.59 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.277 0.561 . . . . 0.0 109.76 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.9 mt -62.53 122.41 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.631 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -105.01 169.57 8.36 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -49.62 -42.77 45.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -78.79 46.83 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.231 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -124.07 149.6 45.96 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 m -105.02 104.34 14.06 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mp -82.67 132.88 35.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.766 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -94.33 106.04 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.456 HD21 ' NE2' ' A' ' 50' ' ' GLN . 7.6 tt -107.48 143.79 35.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.467 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.488 HG11 HD13 ' A' ' 96' ' ' LEU . 46.3 t -111.57 131.29 63.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.9 130.91 50.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.877 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -149.78 39.89 0.8 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.637 ' HA ' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER 48.73 74.34 0.18 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.761 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.525 ' H ' ' CD1' ' A' ' 96' ' ' LEU . 15.8 tt0 149.76 -76.29 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.301 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -64.94 -9.99 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.217 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.637 HD21 ' HA ' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -74.02 -10.76 59.97 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.952 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.599 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.5 mt -92.19 -52.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.3 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -64.82 -33.65 76.49 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 0.2 OUTLIER -74.56 -29.3 61.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.646 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.06 -33.39 50.92 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.595 HG23 ' HA2' ' A' ' 56' ' ' GLY . 7.5 mt -64.96 -37.78 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.601 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -92.64 -10.2 38.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.142 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.5 OUTLIER -88.38 -74.4 0.46 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.117 -178.624 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.5 m -100.34 -11.35 20.37 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.543 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 5.3 mp . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.704 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 25' ' ' GLU . 12.4 pt20 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.945 0.402 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.543 ' CD1' HD22 ' A' ' 76' ' ' LEU . 31.8 pt -83.5 -171.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.679 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -124.22 133.55 53.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.303 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.47 140.89 52.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.102 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.2 ttpp -128.05 117.92 22.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.501 HG22 HD22 ' A' ' 78' ' ' LEU . 71.1 p -66.18 170.27 6.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.614 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.868 HD11 ' HZ1' ' A' ' 99' ' ' LYS . 3.1 tm? -57.7 -46.3 84.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.919 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -61.92 -21.06 64.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.65 42.45 2.49 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 10.0 ttmt -98.97 125.06 44.34 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.28 125.13 32.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.468 HD13 HD11 ' A' ' 39' ' ' ILE . 1.6 mt -133.19 129.51 57.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.278 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.684 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.7 m -107.4 125.78 51.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.538 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.883 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -132.71 141.96 48.82 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -78.46 106.43 10.4 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.565 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.66 148.34 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.5 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.706 ' O ' HD12 ' A' ' 65' ' ' LEU . 5.0 mm-40 -70.11 158.76 35.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.873 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 20.9 t -66.61 -17.48 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.257 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.605 ' HA ' ' H ' ' A' ' 66' ' ' SER . 59.6 p -117.71 4.17 12.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.209 -178.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -47.41 159.64 0.13 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.765 0.317 . . . . 0.0 110.518 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.8 p -94.65 158.49 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.242 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.0 mm -55.02 -46.56 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.425 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -44.96 -46.21 10.94 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.659 0.266 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -63.44 -36.81 84.97 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.858 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.88 -44.72 96.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.693 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -65.68 -64.11 0.94 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.448 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -49.64 -53.1 26.15 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.776 0.322 . . . . 0.0 110.368 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -35.16 22.0 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.468 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -64.22 -43.35 97.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.183 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.9 pt20 -59.33 -26.65 65.21 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-O 120.861 0.363 . . . . 0.0 110.501 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.59 -29.42 63.5 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -89.73 -38.94 13.48 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.294 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 45' ' ' ILE . 21.3 mt-10 -122.93 8.6 9.33 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.19 -38.07 0.67 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.575 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.518 ' CD1' HD21 ' A' ' 80' ' ' LEU . 18.2 mt -42.72 114.59 1.52 Allowed Pre-proline 0 CA--C 1.532 0.267 0 CA-C-O 120.578 0.228 . . . . 0.0 111.578 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 2.4 Cg_endo -50.12 143.57 24.88 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.898 2.399 . . . . 0.0 112.123 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -52.36 -29.54 39.38 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.596 2.197 . . . . 0.0 112.061 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.1 -45.42 34.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.374 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -23.63 54.82 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.141 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.475 ' OE1' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -109.17 157.33 18.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.853 0.358 . . . . 0.0 110.641 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.455 ' NH2' HH12 ' A' ' 81' ' ' ARG . 0.1 OUTLIER -131.86 165.16 24.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.812 179.729 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.677 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -124.55 112.23 16.6 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.72 0.295 . . . . 0.0 110.478 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.587 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.8 mp -112.49 126.01 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.466 ' HB3' HD21 ' A' ' 59' ' ' LEU . 26.5 t-105 -136.2 131.12 34.18 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.917 0.389 . . . . 0.0 111.219 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.62 61.69 1.66 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.174 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.544 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 51.4 9.91 0.48 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.949 178.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.66 142.07 46.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.137 0.468 . . . . 0.0 110.944 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 129.57 38.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.977 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.677 HD12 ' HB3' ' A' ' 52' ' ' LEU . 63.8 mt -66.61 -142.76 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.813 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 178.23 144.95 0.12 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.929 0.395 . . . . 0.0 111.046 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -49.03 -42.28 37.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.179 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.11 -7.19 66.37 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.26 152.42 24.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.5 p -114.57 169.08 9.32 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.636 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.2 mt -72.42 -41.54 66.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.695 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.605 ' H ' ' HA ' ' A' ' 29' ' ' SER . 29.6 t -66.66 -9.77 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.693 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.48 -23.39 62.71 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.055 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -125.68 -6.49 6.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.207 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 m120 74.94 43.51 0.22 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.354 0.597 . . . . 0.0 109.444 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.1 mm -66.42 117.6 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.668 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -95.39 167.42 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.404 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.422 ' HG2' ' H ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -53.68 -44.53 69.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.143 179.838 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.8 50.25 1.78 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.828 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 t -117.86 147.76 42.77 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.772 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 m -105.53 101.27 10.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.205 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 12' ' ' ILE . 1.7 mp -85.07 120.79 26.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.055 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -78.52 106.99 10.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.501 HD22 HG22 ' A' ' 16' ' ' THR . 9.0 tt -98.97 132.98 43.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.706 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.447 ' HB ' HD13 ' A' ' 53' ' ' ILE . 2.2 t -96.17 125.84 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.87 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.518 HD21 ' CD1' ' A' ' 45' ' ' ILE . 1.8 tp -112.18 116.66 30.82 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.455 HH12 ' NH2' ' A' ' 51' ' ' ARG . 1.2 ptm180 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.369 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -150.88 40.57 0.73 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.804 0.335 . . . . 0.0 110.802 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 94' ' ' GLU . 0.5 OUTLIER 50.96 70.15 0.56 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.926 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.867 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.5 tm-20 165.31 -83.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 96' ' ' LEU . 1.3 pm0 -56.53 -34.18 66.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.282 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.867 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.3 pt? -34.64 -31.42 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -178.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.689 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.4 mt -74.01 -59.86 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.837 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.454 ' N ' HG22 ' A' ' 97' ' ' ILE . 9.7 ptp180 -65.48 -28.82 69.48 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.868 ' HZ1' HD11 ' A' ' 17' ' ' LEU . 14.5 ttpp -70.63 -38.25 73.88 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.011 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.4 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -73.01 -18.15 61.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.634 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.544 HG23 ' HA2' ' A' ' 56' ' ' GLY . 29.8 mt -89.54 -33.46 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.064 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -91.22 -11.79 37.21 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.81 HD12 ' N ' ' A' ' 104' ' ' SER . 3.2 pp -95.6 -67.72 0.84 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 119.404 -0.918 . . . . 0.0 112.75 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.81 ' N ' HD12 ' A' ' 103' ' ' LEU . 5.4 m -98.79 -15.65 19.2 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.501 HD12 ' H ' ' A' ' 56' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.583 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.966 0.412 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.578 HG22 ' O ' ' A' ' 71' ' ' GLN . 33.8 pt -68.14 165.62 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.481 -179.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.75 ' CE2' HG23 ' A' ' 75' ' ' THR . 1.0 OUTLIER -106.35 118.49 36.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.797 178.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.462 ' CB ' HD21 ' A' ' 24' ' ' LEU . . . -109.71 120.17 41.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.658 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.561 ' HG3' ' N ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -105.15 155.1 19.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.994 179.324 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.561 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 73.1 p -112.61 167.24 10.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.141 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.74 HD21 HD21 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -55.24 -48.97 73.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.972 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.3 p -61.12 -19.93 62.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.03 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.39 35.78 4.85 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.821 -0.512 . . . . 0.0 111.821 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.74 140.32 29.7 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.724 HG23 ' CE1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -97.05 121.63 39.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 110.984 -179.569 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.1 mt -133.56 133.85 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.495 ' C ' HD23 ' A' ' 24' ' ' LEU . 84.6 m -112.9 133.56 54.82 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.828 0.347 . . . . 0.0 111.158 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.495 HD23 ' C ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -133.33 138.4 46.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.589 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.37 105.2 14.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.779 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.444 HG22 HG12 ' A' ' 12' ' ' ILE . 10.4 m -137.33 165.16 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.159 0.504 . . . . 0.0 111.736 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.579 ' O ' HD12 ' A' ' 65' ' ' LEU . 20.5 mt-10 -78.53 158.83 28.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.835 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.6 p -68.6 -17.16 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.099 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.629 ' HA ' ' H ' ' A' ' 66' ' ' SER . 1.1 m -116.81 3.66 12.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.434 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.33 163.32 0.17 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.635 0.255 . . . . 0.0 110.541 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.5 p -97.16 160.57 14.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.152 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 mm -52.24 -43.19 38.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -48.08 -45.32 32.39 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.373 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -64.04 -38.98 93.04 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.735 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.04 -48.24 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.708 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -61.25 -59.36 5.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.072 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.5 p -47.29 -47.18 25.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.216 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -52.02 -38.18 55.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.057 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.424 HG21 ' CD ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -64.38 -44.13 97.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.536 179.56 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.419 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.3 pt20 -60.93 -29.85 69.86 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.592 0.234 . . . . 0.0 111.388 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.78 -25.96 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -92.22 -40.24 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.93 -178.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -122.37 7.5 9.61 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 73.87 -40.43 0.99 Allowed Glycine 0 CA--C 1.531 1.034 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.09 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.8 mt -37.78 124.34 0.98 Allowed Pre-proline 0 N--CA 1.467 0.377 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -54.82 132.45 51.99 Favored 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.685 2.257 . . . . 0.0 111.494 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -48.92 -43.95 33.75 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 122.846 2.364 . . . . 0.0 112.617 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -63.62 -28.4 69.89 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.999 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -69.7 -12.29 61.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.078 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.424 ' CD ' HG21 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -111.15 157.5 19.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.165 0.507 . . . . 0.0 111.581 -179.307 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.1 161.81 33.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.27 -0.877 . . . . 0.0 108.744 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.592 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -121.94 111.2 16.78 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.768 -179.67 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.592 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.8 mp -112.55 121.51 65.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.609 ' HB3' HD11 ' A' ' 59' ' ' LEU . 18.6 t90 -136.55 136.2 39.11 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.942 0.401 . . . . 0.0 110.777 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.419 ' N ' HD12 ' A' ' 105' ' ' LEU . . . 55.59 55.92 6.75 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.304 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.664 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 55.38 5.54 0.78 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.505 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -121.42 135.56 55.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 117.069 0.435 . . . . 0.0 110.911 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -77.99 127.0 31.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.058 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.609 HD11 ' HB3' ' A' ' 54' ' ' TRP . 38.7 mt -83.38 146.57 28.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.712 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -101.03 148.1 25.43 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.458 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.15 -30.62 11.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.63 -5.76 69.5 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.22 155.68 28.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.8 0.333 . . . . 0.0 110.728 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -114.06 176.44 5.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.713 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 27' ' ' GLU . 9.8 mt -85.01 -39.53 17.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.689 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.629 ' H ' ' HA ' ' A' ' 29' ' ' SER . 46.0 t -69.53 -9.82 55.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.001 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.99 -61.91 1.87 Allowed 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -93.09 2.13 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.394 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 78.23 52.09 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.168 0.509 . . . . 0.0 110.273 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.655 HG23 ' CB ' ' A' ' 74' ' ' SER . 27.4 mt -82.65 122.6 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.501 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.578 ' O ' HG22 ' A' ' 12' ' ' ILE . 14.9 mp0 -102.98 -125.98 0.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.442 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -102.06 -41.41 6.44 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.818 0.342 . . . . 0.0 110.731 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -82.43 36.54 0.48 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.655 ' CB ' HG23 ' A' ' 70' ' ' ILE . 78.6 p -95.52 125.96 40.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.364 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.75 HG23 ' CE2' ' A' ' 13' ' ' PHE . 24.8 m -88.29 93.81 9.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 0.0 110.265 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.531 HD22 HD12 ' A' ' 12' ' ' ILE . 2.6 mp -84.79 155.8 21.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.683 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.553 ' O ' HD13 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -121.28 111.02 16.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.613 179.247 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.554 HD12 ' CD2' ' A' ' 52' ' ' LEU . 1.1 tp -99.91 130.24 46.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.289 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.764 HG11 HD13 ' A' ' 96' ' ' LEU . 42.8 t -104.64 126.86 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.292 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.9 mt -99.23 114.3 27.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.66 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.437 ' HA ' HD21 ' A' ' 96' ' ' LEU . 18.3 ptt85 . . . . . 0 C--O 1.232 0.133 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.643 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' N ' ' HZ2' ' A' ' 99' ' ' LYS . . . . . . . . 0 C--O 1.232 0.174 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.456 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 10.6 m-20 -147.96 43.52 1.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.597 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.697 ' O ' HD11 ' A' ' 96' ' ' LEU . 6.3 tt0 73.11 -57.68 0.63 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.802 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -91.45 -58.01 2.58 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.393 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 97' ' ' ILE . 2.8 mm-40 -50.57 -50.22 54.2 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.521 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.918 HD12 ' N ' ' A' ' 97' ' ' ILE . 0.8 OUTLIER -35.12 -22.66 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.042 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.918 ' N ' HD12 ' A' ' 96' ' ' LEU . 1.9 mt -84.75 -53.86 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.015 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 7.6 ptm180 -60.89 -41.7 96.55 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.619 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.597 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -76.4 -26.59 55.74 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.063 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -70.41 -25.24 63.13 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.664 HG23 ' HA2' ' A' ' 56' ' ' GLY . 31.0 mt -83.59 -30.82 8.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.996 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.71 -12.42 31.45 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.877 HD12 ' N ' ' A' ' 104' ' ' SER . 2.9 pp -96.28 -69.93 0.74 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 119.161 -1.015 . . . . 0.0 113.249 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.877 ' N ' HD12 ' A' ' 103' ' ' LEU . 32.0 t -99.99 -10.61 21.42 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.637 HD12 ' H ' ' A' ' 56' ' ' GLY . 3.6 mm? . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -78.9 23.98 0.32 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.762 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.03 175.92 0.15 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -104.47 -2.4 25.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.657 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.97 176.66 4.85 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.64 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -144.34 131.56 20.67 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.697 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -157.6 60.82 0.48 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.383 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.39 69.09 3.21 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -16.52 40.06 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -115.4 121.52 43.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.072 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.527 ' H ' ' NH2' ' A' ' 72' ' ' ARG . 19.4 mp0 -105.33 176.42 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.163 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG12 HG22 ' A' ' 26' ' ' VAL . 12.6 pt -142.95 169.03 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.143 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -123.56 132.16 53.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.042 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.37 137.8 54.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.828 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.43 116.55 22.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.564 HG22 HD22 ' A' ' 78' ' ' LEU . 68.3 p -63.26 167.4 5.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.036 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 17' ' ' LEU . 3.4 tm? -57.11 -42.27 80.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.02 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.2 p -64.81 -16.88 63.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.399 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.46 21.39 11.56 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 121.237 -0.506 . . . . 0.0 111.968 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -81.6 124.24 29.37 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 m -86.14 126.94 34.59 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.853 0.359 . . . . 0.0 110.958 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.652 HD13 HD11 ' A' ' 39' ' ' ILE . 17.2 mt -133.33 129.04 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.62 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.7 m -107.7 126.74 52.97 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.431 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.487 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -131.75 140.65 49.3 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 5.9 mp0 -83.24 107.99 16.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.527 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.637 HG12 ' CD ' ' A' ' 38' ' ' LYS . 4.6 m -126.14 -172.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.404 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.694 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.9 mm-40 -107.15 158.41 17.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.694 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 65.0 p -60.77 -21.44 63.04 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.705 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.593 ' HA ' ' H ' ' A' ' 66' ' ' SER . 58.7 p -116.35 4.76 13.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.468 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.529 ' HB2' ' H ' ' A' ' 27' ' ' GLU . 6.9 t70 -40.09 148.77 0.07 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.694 0.283 . . . . 0.0 110.973 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.1 p -99.25 163.25 12.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.383 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.439 HG22 ' HG3' ' A' ' 36' ' ' LYS . 31.9 mm -52.26 -54.36 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.311 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.86 -43.52 18.71 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.809 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -69.18 -40.41 78.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.302 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.12 -47.71 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.788 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HG3' HG22 ' A' ' 32' ' ' ILE . 36.7 mtmt -59.66 -64.79 0.82 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.724 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -46.22 -47.5 17.9 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.929 0.395 . . . . 0.0 110.376 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.637 ' CD ' HG12 ' A' ' 26' ' ' VAL . 30.8 mttm -50.14 -35.83 27.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.77 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.652 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -67.48 -40.17 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.135 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.31 -32.59 64.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.696 0.284 . . . . 0.0 110.65 -179.484 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 15.8 t70 -72.79 -20.99 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.69 -46.47 7.56 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.318 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -118.78 6.11 11.51 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.25 -39.45 1.87 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.478 HG21 ' CD2' ' A' ' 80' ' ' LEU . 7.1 mm -39.58 125.19 1.46 Allowed Pre-proline 0 N--CA 1.464 0.244 0 CA-C-O 120.501 0.191 . . . . 0.0 111.229 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.2 Cg_exo -70.04 142.81 47.68 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 122.409 2.073 . . . . 0.0 112.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -52.94 -40.37 76.07 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.641 2.228 . . . . 0.0 112.316 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.68 -22.25 66.35 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.786 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -97.42 -12.3 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.632 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.585 ' OE1' HD21 ' A' ' 78' ' ' LEU . 12.5 mm-40 -99.1 135.21 40.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.47 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.641 ' HB3' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -117.49 150.42 38.95 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.098 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -123.25 117.95 26.48 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.328 -179.238 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.406 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.4 mp -116.83 126.66 74.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.469 ' HB2' HD11 ' A' ' 59' ' ' LEU . 24.2 t90 -145.71 139.92 26.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.954 0.407 . . . . 0.0 110.867 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 58.01 53.11 7.05 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.288 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.689 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 56.26 2.45 0.42 Allowed Glycine 0 CA--C 1.531 1.072 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.693 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 55' ' ' ALA . 15.4 ttmt -121.64 144.33 48.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 117.178 0.489 . . . . 0.0 111.177 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -79.35 120.74 24.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.638 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 54' ' ' TRP . 57.8 mt -71.07 125.91 28.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.924 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' H ' ' HG3' ' A' ' 63' ' ' ARG . 1.6 mt-10 -82.4 138.86 34.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.942 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -44.68 -24.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.06 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.12 4.97 85.39 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 121.285 -0.483 . . . . 0.0 112.03 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HG3' ' H ' ' A' ' 60' ' ' GLU . 11.9 mmt85 -82.09 153.42 26.1 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.3 p -116.89 168.21 10.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.641 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 27' ' ' GLU . 6.3 mt -75.94 -42.13 49.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.152 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.593 ' H ' ' HA ' ' A' ' 29' ' ' SER . 41.5 p -73.1 -9.94 59.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.202 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.25 -61.91 1.97 Allowed 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -87.35 3.47 46.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.49 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 t30 73.82 27.88 1.64 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.12 0.486 . . . . 0.0 109.76 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.9 mt -56.28 112.81 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.525 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -70.71 -150.29 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.274 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.527 ' NH2' ' H ' ' A' ' 11' ' ' GLN . 7.1 ptm85 -99.83 -39.04 8.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.732 0.301 . . . . 0.0 110.385 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -81.95 55.03 2.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.258 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.9 p -114.95 148.03 39.26 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.6 m -99.23 98.04 9.06 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.024 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mp -78.51 96.75 5.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.575 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.43 109.84 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.027 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.585 HD21 ' OE1' ' A' ' 50' ' ' GLN . 5.9 tt -105.6 143.08 34.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.226 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.641 HG23 ' HB3' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -125.14 119.5 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.957 0.408 . . . . 0.0 110.401 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.478 ' CD2' HG21 ' A' ' 45' ' ' ILE . 10.9 mt -75.39 117.99 17.8 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.749 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.431 ' NE ' ' HB2' ' A' ' 51' ' ' ARG . 6.0 mtt85 -73.93 171.46 13.4 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.4 tp -147.79 105.27 3.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.091 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.02 -27.82 18.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.688 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.12 -160.54 4.82 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.46 125.36 37.81 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.87 128.17 15.27 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.931 0.396 . . . . 0.0 110.707 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 10.4 ttm -64.64 -25.02 67.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.546 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.81 43.31 96.35 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.65 -155.56 8.31 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.416 ' HB1' ' HE2' ' A' ' 99' ' ' LYS . . . -66.29 -55.46 15.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.733 0.301 . . . . 0.0 110.602 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -109.49 133.28 53.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.53 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.405 ' HB2' ' CD ' ' A' ' 95' ' ' GLU . 1.7 m-20 -134.99 -78.79 0.44 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.298 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.446 ' HA ' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -146.79 -43.91 0.18 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -105.41 -41.66 5.45 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.626 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.405 ' CD ' ' HB2' ' A' ' 92' ' ' ASP . 0.6 OUTLIER -66.74 -11.59 55.25 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.181 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 97' ' ' ILE . 1.1 pp -78.65 -10.3 59.7 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.764 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.7 mt -90.49 -55.96 5.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.495 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -59.57 -33.84 71.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.552 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -80.6 -36.22 33.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.988 -179.645 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -65.95 -19.62 65.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.069 0.461 . . . . 0.0 109.825 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.689 HG23 ' HA2' ' A' ' 56' ' ' GLY . 74.1 mt -94.11 -28.55 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.29 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -93.02 -11.93 31.88 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -178.075 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.823 HD12 ' N ' ' A' ' 104' ' ' SER . 2.6 pp -96.1 -70.22 0.72 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.363 -0.935 . . . . 0.0 112.849 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.823 ' N ' HD12 ' A' ' 103' ' ' LEU . 18.6 m -98.65 -12.09 21.41 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.503 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -94.27 -36.26 12.07 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.721 -0.391 . . . . 0.0 111.924 -178.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -43.13 -26.17 0.15 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -179.017 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -53.32 -40.24 64.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.97 0.414 . . . . 0.0 109.984 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.8 p -67.8 -31.8 71.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.174 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.5 tmm_? -76.92 -27.67 54.99 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.308 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -65.41 -25.95 67.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 p -62.33 -22.2 65.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.603 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.5 -0.23 37.77 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.05 -15.08 48.9 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.965 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -139.23 -7.2 1.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.361 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 54.9 45.39 26.63 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.364 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 69.91 100.88 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.487 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -148.74 0.11 0.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.216 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -79.36 -174.57 4.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.647 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.36 164.62 11.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.74 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 157.5 127.41 0.96 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.48 173.08 6.5 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.686 0.279 . . . . 0.0 110.393 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.64 122.32 36.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.129 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -113.18 114.23 26.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.408 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.499 HD12 HD13 ' A' ' 76' ' ' LEU . 29.7 pt -73.0 173.65 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.166 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -126.3 140.03 52.84 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.952 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.3 150.76 50.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.4 ttpp -131.58 120.86 23.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.568 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -69.66 173.28 6.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.753 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.669 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -58.7 -47.08 85.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.206 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -62.24 -21.73 65.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.59 42.12 2.39 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.006 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -94.26 124.96 38.6 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.112 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -87.21 116.57 25.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.4 mt -132.65 136.08 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.467 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 m -106.39 137.5 44.25 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.527 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -127.07 131.59 50.86 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.016 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.06 94.09 6.52 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.169 0.509 . . . . 0.0 110.052 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.77 HG12 ' HD2' ' A' ' 38' ' ' LYS . 4.6 m -119.29 -169.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.062 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.72 ' O ' HD12 ' A' ' 65' ' ' LEU . 47.6 mm-40 -111.02 154.12 24.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.256 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.4 p -57.19 -23.04 44.97 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.153 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.628 ' HA ' ' H ' ' A' ' 66' ' ' SER . 82.9 p -116.41 4.35 13.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.885 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' H ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -46.1 158.58 0.09 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.68 0.276 . . . . 0.0 110.88 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -91.41 149.06 21.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.369 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' HA ' HD13 ' A' ' 32' ' ' ILE . 31.3 mm -53.12 -47.55 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.471 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.61 -43.8 46.74 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.562 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -66.05 -39.62 90.27 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.927 0.394 . . . . 0.0 109.938 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.48 -43.65 83.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 47' ' ' PRO . 21.8 mtpt -61.81 -59.6 4.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.138 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 40' ' ' GLN . 12.1 t -49.7 -50.64 43.09 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.011 0.434 . . . . 0.0 110.22 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.77 ' HD2' HG12 ' A' ' 26' ' ' VAL . 35.2 mttm -49.02 -34.27 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.731 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -40.22 82.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.92 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.3 pp0? -56.26 -28.89 60.16 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.799 0.333 . . . . 0.0 110.209 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 27.0 t70 -71.75 -23.6 61.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -92.1 -42.63 9.83 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.092 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' A' ' 45' ' ' ILE . 36.8 mt-10 -120.28 7.19 10.7 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.07 -39.13 1.15 Allowed Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.433 ' H ' ' C ' ' A' ' 43' ' ' GLU . 16.8 mm -37.13 128.89 0.78 Allowed Pre-proline 0 N--CA 1.464 0.239 0 C-N-CA 122.236 0.214 . . . . 0.0 111.213 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -65.97 137.65 49.54 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 C-N-CA 122.159 1.906 . . . . 0.0 111.649 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 2.6 Cg_endo -48.73 -42.89 35.88 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 122.878 2.385 . . . . 0.0 112.609 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.51 -28.79 69.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.976 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -73.82 -13.94 61.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.306 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.699 ' HB3' HD11 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -107.21 149.83 27.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.057 0.456 . . . . 0.0 111.596 -179.127 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HB2' ' CG2' ' A' ' 79' ' ' VAL . 4.1 mmp_? -127.57 147.77 50.34 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.553 ' C ' HD12 ' A' ' 53' ' ' ILE . 4.1 mm? -111.04 113.43 25.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.862 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.553 HD12 ' C ' ' A' ' 52' ' ' LEU . 2.0 mp -114.87 122.35 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.967 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.515 ' CB ' HD11 ' A' ' 59' ' ' LEU . 71.7 t-105 -132.44 132.34 42.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.914 0.388 . . . . 0.0 110.735 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 53.79 61.23 3.19 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.598 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 55.33 3.43 0.37 Allowed Glycine 0 CA--C 1.53 1.015 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.934 178.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 55' ' ' ALA . 25.6 mttm -118.49 142.15 47.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 117.228 0.514 . . . . 0.0 110.984 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.4 125.85 33.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.365 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.515 HD11 ' CB ' ' A' ' 54' ' ' TRP . 7.8 mt -83.03 144.64 29.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.675 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.0 140.71 29.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.561 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -55.47 -24.03 28.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.205 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.79 -9.6 86.8 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -74.74 164.44 26.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.39 . . . . 0.0 111.189 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.0 p -116.76 169.41 9.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.161 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.0 mt -75.43 -42.02 54.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.826 -179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.628 ' H ' ' HA ' ' A' ' 29' ' ' SER . 55.5 p -77.67 -10.64 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -60.17 3.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.83 1.0 48.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.5 t30 67.2 35.15 4.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.304 0.573 . . . . 0.0 109.9 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.3 mt -57.32 -22.39 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.942 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 53.49 -156.95 0.18 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.797 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 11.0 ptt85 -101.95 -52.05 3.26 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.154 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 3.2 pt-20 -75.59 63.21 1.51 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.129 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t -131.64 151.9 51.25 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.5 m -99.17 103.14 15.01 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.841 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.499 HD13 HD12 ' A' ' 12' ' ' ILE . 3.9 mp -84.42 96.2 9.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.65 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.2 117.23 10.57 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.204 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.699 HD11 ' HB3' ' A' ' 50' ' ' GLN . 7.3 tt -115.01 151.97 33.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.287 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 51' ' ' ARG . 30.4 m -130.18 127.43 63.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.938 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -85.12 127.86 34.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.196 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -73.35 -172.31 1.13 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.756 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.526 HD23 ' H ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -72.13 88.31 1.11 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.149 179.5 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -12.6 4.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.072 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.526 ' H ' HD23 ' A' ' 82' ' ' LEU . . . 87.71 61.67 1.51 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 178.17 -105.34 0.2 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.0 m -87.67 89.59 8.05 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.793 0.33 . . . . 0.0 110.241 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.508 ' HG3' ' H ' ' A' ' 89' ' ' GLY . 9.1 ptt? -75.97 -22.36 56.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.694 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.09 -14.65 19.93 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.508 ' H ' ' HG3' ' A' ' 87' ' ' MET . . . 84.12 -28.59 4.11 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.494 ' HB1' ' HE2' ' A' ' 99' ' ' LYS . . . -82.45 -70.76 0.53 Allowed 'General case' 0 C--O 1.232 0.173 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.11 91.08 7.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.027 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -88.23 -86.43 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.003 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.639 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.4 tt0 -140.63 -40.12 0.42 Allowed 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.385 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -111.99 -43.09 3.63 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.848 0.356 . . . . 0.0 110.803 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -63.73 -9.85 16.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.639 HD22 ' O ' ' A' ' 93' ' ' GLU . 0.9 OUTLIER -73.7 -10.49 59.74 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.552 ' N ' HD23 ' A' ' 96' ' ' LEU . 3.8 mt -95.87 -51.18 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -66.18 -33.52 75.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.121 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.494 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -75.38 -38.73 59.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.474 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.529 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -72.92 -29.06 62.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.983 0.421 . . . . 0.0 110.118 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.473 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 5.7 mt -70.0 -39.88 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.381 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 7.5 tt0 -93.19 -10.8 34.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.058 -0.973 . . . . 0.0 112.139 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 13.1 mt -89.4 -74.44 0.48 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.275 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.3 m -100.27 -10.38 21.37 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 1.2 mm? -86.83 -33.47 19.84 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.198 -178.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.483 ' HG3' ' N ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -93.81 -36.13 12.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.566 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.483 ' N ' ' HG3' ' A' ' 106' ' ' LYS . 6.5 tt0 -63.94 -34.66 78.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.9 m -57.05 -42.55 80.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -62.09 -41.67 98.43 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.645 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -65.98 -38.87 89.64 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.353 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.1 m -65.57 -41.69 92.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.463 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -91.42 7.24 80.4 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.45 -43.78 96.21 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.451 179.824 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -159.93 173.29 16.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -126.45 -1.34 6.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.351 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.72 -82.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.862 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 66.5 157.46 0.11 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.776 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -149.71 -46.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.173 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.403 ' H ' ' H ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -167.18 3.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.604 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 7' ' ' HIS . . . 94.63 -169.41 28.66 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -140.69 -13.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.576 0.227 . . . . 0.0 110.785 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.33 119.76 39.38 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -126.99 118.96 25.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.785 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.4 pt -79.75 -177.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.074 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -126.03 136.22 52.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.246 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.05 137.48 53.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.955 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.7 ttpp -127.55 115.53 18.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.8 p -68.14 167.5 14.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.174 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.699 HD11 HD21 ' A' ' 103' ' ' LEU . 12.4 tp -66.36 -16.95 64.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.293 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -85.48 -19.94 30.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.378 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.66 44.55 1.94 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.99 -0.444 . . . . 0.0 111.99 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 29.4 tptp -105.13 115.37 30.16 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -82.94 123.4 29.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 39' ' ' ILE . 35.4 mt -131.68 128.31 60.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -102.83 127.39 50.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.22 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -132.43 136.47 46.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.989 -179.52 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.96 97.71 5.42 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.189 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.2 m -131.13 -172.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.406 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.515 ' O ' HD12 ' A' ' 65' ' ' LEU . 4.5 mm-40 -106.28 156.93 17.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.062 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -66.2 -12.63 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.621 ' HA ' ' H ' ' A' ' 66' ' ' SER . 91.2 p -121.67 -0.14 9.74 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.02 124.65 10.46 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.431 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 17.9 p -53.91 157.42 2.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.668 0.271 . . . . 0.0 110.766 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 32' ' ' ILE . 29.1 mm -54.58 -42.23 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.37 -47.84 37.04 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.769 0.318 . . . . 0.0 110.253 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.37 -37.02 86.03 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.781 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.3 -48.93 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.454 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -62.15 -61.64 2.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.216 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.456 ' N ' ' HB3' ' A' ' 47' ' ' PRO . 21.7 t -48.45 -51.38 27.22 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.85 0.357 . . . . 0.0 110.258 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -48.96 -33.88 11.83 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.594 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -67.9 -42.41 85.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 179.283 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -58.83 -27.27 64.95 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.621 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 2.7 t70 -71.33 -27.24 63.24 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -92.32 -38.66 11.92 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.042 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -116.61 5.27 13.24 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 71.6 -44.05 0.77 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.09 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.483 ' HB ' HE22 ' A' ' 50' ' ' GLN . 93.2 mt -44.31 128.44 4.67 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 120.674 0.273 . . . . 0.0 111.473 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -52.05 139.0 52.8 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.095 2.53 . . . . 0.0 112.746 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.456 ' HB3' ' N ' ' A' ' 37' ' ' SER . 2.4 Cg_endo -54.05 -33.01 71.64 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.845 2.363 . . . . 0.0 112.368 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -70.77 -11.32 60.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.526 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -92.69 -12.44 31.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.953 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.483 HE22 ' HB ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.6 154.69 24.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.18 0.514 . . . . 0.0 111.326 -179.506 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -131.61 157.38 43.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.138 179.108 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.624 ' HB3' HD12 ' A' ' 59' ' ' LEU . 3.9 mm? -114.05 110.81 20.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.162 -0.311 . . . . 0.0 110.162 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.59 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -113.01 120.0 61.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.468 ' HB2' HD11 ' A' ' 59' ' ' LEU . 1.4 t90 -141.08 140.09 34.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.973 0.416 . . . . 0.0 110.765 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.514 ' H ' ' CD1' ' A' ' 105' ' ' LEU . . . 54.46 54.08 9.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.286 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.649 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 56.41 2.09 0.39 Allowed Glycine 0 CA--C 1.529 0.956 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.695 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 55' ' ' ALA . 3.5 mmmm -115.09 137.39 52.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.275 0.538 . . . . 0.0 111.254 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -82.16 125.58 31.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.944 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.624 HD12 ' HB3' ' A' ' 52' ' ' LEU . 9.5 mt -92.27 155.77 17.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.384 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -133.09 171.27 14.22 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.951 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -52.55 -35.8 54.35 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.813 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.96 -21.33 69.55 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -85.38 152.87 22.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.743 0.306 . . . . 0.0 110.307 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 31' ' ' THR . 38.6 p -118.07 161.87 19.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 27' ' ' GLU . 10.7 mt -61.82 -40.82 96.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.962 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.621 ' H ' ' HA ' ' A' ' 29' ' ' SER . 42.5 t -67.1 -9.61 41.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.084 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.8 -44.98 90.91 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.079 0.466 . . . . 0.0 109.936 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.53 -3.97 26.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 75.08 63.76 0.06 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.278 0.561 . . . . 0.0 109.935 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.2 mm -93.58 138.02 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.698 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -121.81 177.62 5.2 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.753 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -58.47 -50.87 72.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.576 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.08 45.41 0.63 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.693 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.2 p -121.68 153.31 38.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.78 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.5 m -111.62 108.66 18.22 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.368 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.04 137.88 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.487 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -95.5 109.55 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.525 HD13 HG13 ' A' ' 39' ' ' ILE . 3.5 tt -100.38 142.36 31.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.81 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.617 HG13 HD11 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -107.58 145.07 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.839 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD11 HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -121.62 105.61 10.59 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.638 -179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 -65.03 175.29 1.61 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.809 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -112.66 109.67 19.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.711 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -74.15 -28.53 61.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.322 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.87 90.53 0.21 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 170.5 108.32 0.21 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.1 p 47.71 44.02 17.22 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 110.804 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -28.38 67.9 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.935 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.99 114.15 3.85 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 168.84 -161.85 35.58 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.4 -46.03 29.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.886 0.374 . . . . 0.0 110.35 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -106.16 98.4 8.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.63 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.404 ' HB2' ' CD ' ' A' ' 95' ' ' GLU . 2.2 m-20 -88.19 -103.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.951 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.57 ' O ' HD22 ' A' ' 96' ' ' LEU . 7.2 tt0 -126.23 -36.0 2.36 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.109 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -112.42 -44.57 3.35 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.351 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.404 ' CD ' ' HB2' ' A' ' 92' ' ' ASP . 2.3 pm0 -62.33 -9.65 8.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.846 0.355 . . . . 0.0 110.684 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.7 HD23 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -76.38 -10.35 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.871 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.7 ' N ' HD23 ' A' ' 96' ' ' LEU . 1.5 mt -95.83 -52.11 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.506 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -60.91 -34.97 75.48 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.687 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.9 OUTLIER -80.07 -29.65 39.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.61 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.83 -26.63 65.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.649 HG23 ' HA2' ' A' ' 56' ' ' GLY . 48.4 mt -84.82 -30.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.351 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -92.83 -12.02 32.18 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.628 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.813 HD12 ' N ' ' A' ' 104' ' ' SER . 2.6 pp -97.12 -69.66 0.75 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.129 -1.028 . . . . 0.0 113.267 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.813 ' N ' HD12 ' A' ' 103' ' ' LEU . 99.8 p -99.59 -10.35 22.14 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 3.6 mm? -93.15 -39.99 10.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 1.2 pptp? -55.88 -24.77 39.09 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.454 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.42 ' HG2' ' H ' ' A' ' 107' ' ' GLU . 6.6 pt-20 -91.58 -24.8 19.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.13 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.5 t -74.67 -6.54 49.27 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.732 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.8 mtm-85 -52.85 -26.25 14.09 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -57.43 -40.03 77.49 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.468 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 t -68.0 -25.89 65.63 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.576 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -68.75 -8.5 57.21 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -77.49 -16.71 80.02 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.223 -0.33 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.691 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -61.47 -36.98 81.97 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.518 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -68.95 92.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.365 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -81.67 93.38 6.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.778 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -100.09 125.1 46.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.27 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.58 172.56 17.64 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -163.3 13.31 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.611 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -109.62 101.37 1.45 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -165.82 150.28 8.31 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -127.09 123.41 36.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.225 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -118.51 119.4 34.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.475 HG22 ' HA ' ' A' ' 72' ' ' ARG . 36.8 pt -82.04 -174.77 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -125.2 134.77 52.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.569 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.29 129.59 55.55 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -122.42 119.39 30.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 111.237 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 p -73.86 158.62 34.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.198 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 17' ' ' LEU . 15.6 tp -62.34 -17.68 59.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.432 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.3 p -79.54 -18.89 50.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.503 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.58 33.48 4.76 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.35 120.27 41.17 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -87.94 132.35 34.26 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.508 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.851 HD13 HD11 ' A' ' 39' ' ' ILE . 21.6 mt -132.57 124.68 51.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.546 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.9 m -104.49 123.57 47.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.303 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.48 140.1 48.24 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -76.65 108.28 9.54 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.482 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.418 ' CG2' HG23 ' A' ' 12' ' ' ILE . 34.1 m -133.13 141.77 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.73 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.684 ' O ' HD12 ' A' ' 65' ' ' LEU . 8.1 mm-40 -68.15 161.55 26.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.059 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 t -61.96 -23.04 66.14 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.258 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.609 ' HA ' ' H ' ' A' ' 66' ' ' SER . 90.9 p -115.64 4.23 14.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -178.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.19 158.76 0.23 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.752 0.31 . . . . 0.0 110.724 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.2 p -100.51 165.14 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.395 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.526 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 42.7 mm -52.85 -48.97 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.065 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -43.5 -44.7 6.12 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -65.4 -37.07 85.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.037 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' ILE . 61.8 t -64.14 -49.75 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.914 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -59.74 -62.54 1.8 Allowed 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.063 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.5 p -46.25 -48.48 17.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.909 0.385 . . . . 0.0 110.319 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -53.54 -31.16 45.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.302 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.851 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -68.31 -47.71 76.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.744 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.482 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 2.3 pt20 -63.91 -21.61 66.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.794 0.331 . . . . 0.0 110.95 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -77.39 -36.57 53.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.077 0.465 . . . . 0.0 109.787 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -90.28 -37.49 14.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.394 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' A' ' 45' ' ' ILE . 8.3 mp0 -118.41 6.65 11.82 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 70.69 -44.67 0.64 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.81 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.604 HG21 HE21 ' A' ' 50' ' ' GLN . 79.4 mt -38.77 123.89 1.19 Allowed Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 2.6 Cg_endo -48.0 140.67 18.45 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.994 2.463 . . . . 0.0 112.403 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.62 -39.35 35.73 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.551 2.167 . . . . 0.0 112.138 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.67 -44.18 91.19 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.723 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -57.69 -10.17 1.49 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.684 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.604 HE21 HG21 ' A' ' 45' ' ' ILE . 22.6 mt-30 -113.41 156.23 23.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.868 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -140.63 168.53 19.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.73 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.706 HD12 HD12 ' A' ' 76' ' ' LEU . 1.3 mm? -121.52 109.13 14.44 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -112.8 124.65 69.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.47 ' HB3' HD11 ' A' ' 59' ' ' LEU . 20.0 t-105 -156.21 136.24 12.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.032 0.444 . . . . 0.0 110.74 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.656 ' HA ' HD11 ' A' ' 105' ' ' LEU . . . 71.24 41.45 0.77 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.982 179.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.584 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 62.49 2.21 4.13 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.547 178.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -125.76 138.68 53.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.054 0.454 . . . . 0.0 110.795 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -73.96 126.72 31.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.459 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.654 HD12 ' HB3' ' A' ' 52' ' ' LEU . 71.3 mt -76.84 139.03 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.746 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -94.37 142.41 27.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.177 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.526 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -49.95 -22.93 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.56 -179.22 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.4 -0.62 67.44 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 149.01 34.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.796 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -113.33 170.95 7.86 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.684 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.8 mt -84.18 -36.56 22.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.754 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.609 ' H ' ' HA ' ' A' ' 29' ' ' SER . 14.2 p -73.21 -9.6 58.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.696 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.66 -61.57 2.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.02 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -96.8 0.44 49.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.641 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 73.01 36.4 0.87 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.123 0.487 . . . . 0.0 110.006 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.3 mt -54.05 119.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -94.09 152.27 18.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HA ' HG22 ' A' ' 12' ' ' ILE . 16.4 ptt180 -46.95 -40.07 13.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.979 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -78.27 50.34 0.91 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.5 t -127.9 151.02 49.6 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.4 m -107.86 105.98 16.04 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.82 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.706 HD12 HD12 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -89.06 123.41 33.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.293 -179.088 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -76.96 105.74 8.22 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 tt -99.52 132.86 44.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.139 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.761 HG13 HD13 ' A' ' 96' ' ' LEU . 2.1 t -97.6 143.01 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.883 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.501 HD21 HG21 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -124.15 97.63 5.42 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.467 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.512 HH11 HH22 ' A' ' 83' ' ' ARG . 12.5 ptt180 -78.92 171.52 15.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.576 HD23 ' H ' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -92.53 143.78 26.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.987 -179.463 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.576 ' H ' HD23 ' A' ' 82' ' ' LEU . 4.1 mmt-85 -116.01 -27.56 6.91 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.08 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.05 -82.9 0.05 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.28 171.23 30.77 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.0 t 67.6 102.69 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.857 0.36 . . . . 0.0 110.814 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 ttp -98.83 -48.76 4.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.554 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.7 -107.03 3.35 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.15 -97.68 0.11 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.68 -48.65 77.16 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.446 ' HB1' ' HB3' ' A' ' 96' ' ' LEU . . . -96.74 127.37 42.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.167 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -135.22 -61.47 0.74 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.674 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.739 ' O ' HD11 ' A' ' 96' ' ' LEU . 4.3 tm-20 -160.43 -62.62 0.06 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.341 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.26 -45.47 10.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.457 ' HG2' ' H ' ' A' ' 96' ' ' LEU . 2.1 pm0 -53.27 -58.83 5.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.756 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.002 HD12 ' N ' ' A' ' 97' ' ' ILE . 2.1 pp -39.27 -29.5 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 1.002 ' N ' HD12 ' A' ' 96' ' ' LEU . 1.6 mt -84.68 -62.94 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.336 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.468 ' N ' HG22 ' A' ' 97' ' ' ILE . 2.8 ptp180 -56.08 -32.61 64.3 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 103' ' ' LEU . 0.2 OUTLIER -66.54 -71.34 0.2 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -38.79 -29.58 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.885 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.477 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 81.5 mt -76.74 -40.56 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 120.955 0.407 . . . . 0.0 110.862 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.3 mp0 -85.67 -21.15 28.5 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 104' ' ' SER . 1.0 OUTLIER -97.19 -68.36 0.8 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -178.39 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.654 ' N ' HD12 ' A' ' 103' ' ' LEU . 15.6 m -84.73 -11.66 55.36 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.675 HD12 HH11 ' A' ' 109' ' ' ARG . 0.1 OUTLIER -88.63 -39.7 13.87 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.079 -179.348 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -74.62 -12.44 60.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.124 0.487 . . . . 0.0 109.961 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -90.94 -20.81 21.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.097 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.7 t -94.2 -33.81 13.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.368 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.675 HH11 HD12 ' A' ' 105' ' ' LEU . 13.7 mmt85 -71.27 -6.87 43.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.649 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -60.59 -27.76 67.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.713 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.4 t -71.11 -12.42 61.49 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.672 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.31 -22.93 57.09 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.45 -37.43 81.96 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.489 179.697 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpp . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -59.91 -48.92 79.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.609 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -112.51 -40.68 4.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.515 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -74.56 126.45 30.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.771 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -124.11 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.246 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 t60 65.63 104.69 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.912 0.387 . . . . 0.0 111.033 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -159.45 105.84 1.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.21 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.91 54.02 0.03 OUTLIER Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -136.67 44.35 2.37 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.99 121.63 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.911 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.49 ' HB3' HG22 ' A' ' 23' ' ' THR . 0.7 OUTLIER -121.11 113.51 20.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.589 -179.805 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 24' ' ' LEU . 41.6 pt -74.51 178.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.244 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -129.53 134.91 48.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.932 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -120.77 141.72 50.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.22 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -132.11 120.07 21.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.998 0.428 . . . . 0.0 110.961 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 37.4 p -80.23 175.91 10.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.762 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 17' ' ' LEU . 2.7 tm? -54.82 -48.78 72.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.331 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -59.08 -21.05 58.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.047 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.35 38.25 4.84 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 9.6 tmtt? -91.83 120.28 32.39 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -86.02 125.17 33.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.816 0.341 . . . . 0.0 110.67 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.694 HD13 HD11 ' A' ' 39' ' ' ILE . 28.3 mt -132.64 128.94 58.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.544 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.49 HG22 ' HB3' ' A' ' 11' ' ' GLN . 44.7 m -105.66 129.15 53.95 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -132.76 138.83 47.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.13 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.9 113.67 12.47 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.188 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 12' ' ' ILE . 29.2 m -146.85 -169.27 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 121.093 0.473 . . . . 0.0 111.405 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.666 ' O ' HD12 ' A' ' 65' ' ' LEU . 1.6 mp0 -115.27 164.31 14.43 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.188 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -17.85 64.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.804 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.563 ' HA ' ' H ' ' A' ' 66' ' ' SER . 4.0 m -116.26 4.86 13.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.0 153.1 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.642 0.258 . . . . 0.0 110.407 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 37.1 p -94.78 156.86 16.19 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.589 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.486 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 33.5 mm -54.49 -52.79 36.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.256 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -48.45 -41.33 29.2 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.836 0.351 . . . . 0.0 110.219 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -71.42 -40.36 70.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.493 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.9 t -59.4 -46.28 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.355 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' HG22 ' A' ' 39' ' ' ILE . 54.6 mtmt -62.46 -62.35 1.81 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.192 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.6 p -47.08 -50.83 19.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.936 0.398 . . . . 0.0 110.237 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -51.29 -34.03 31.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.137 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.694 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -72.63 -42.27 62.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.5 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.4 -27.05 55.18 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.592 -179.652 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.5 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 25.4 t70 -70.41 -25.52 63.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.81 -40.15 10.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.216 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -114.55 3.63 14.93 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 73.8 -42.99 1.13 Allowed Glycine 0 CA--C 1.53 0.969 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.167 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.411 ' HB ' ' NE2' ' A' ' 50' ' ' GLN . 14.6 mt -42.22 120.18 2.36 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-O 120.589 0.233 . . . . 0.0 111.335 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.01 139.09 42.57 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.995 2.463 . . . . 0.0 112.649 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -49.21 -46.76 24.56 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 123.153 2.568 . . . . 0.0 112.569 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.48 -43.68 98.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.677 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -59.95 -13.45 11.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.471 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.44 HE22 ' CG2' ' A' ' 39' ' ' ILE . 60.5 mt-30 -114.4 158.83 21.0 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.12 0.486 . . . . 0.0 111.28 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -147.89 163.24 37.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.994 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 53' ' ' ILE . 5.0 mp -121.33 128.31 52.15 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.671 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.3 mp -116.29 123.61 71.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -148.72 135.65 19.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.048 0.452 . . . . 0.0 111.147 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.635 ' H ' HD21 ' A' ' 105' ' ' LEU . . . 66.65 46.91 1.68 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.778 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.592 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 60.67 2.82 2.67 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.448 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -129.29 132.96 47.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.014 0.407 . . . . 0.0 110.94 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.75 122.51 16.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.458 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.406 HD21 ' OH ' ' A' ' 68' ' ' TYR . 5.2 mt -67.82 125.07 25.09 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.738 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.66 128.92 36.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.814 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.486 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -51.1 -18.94 0.95 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.24 -178.698 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.41 -3.58 86.66 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.443 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -84.35 170.0 14.06 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.025 0.441 . . . . 0.0 111.056 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 31' ' ' THR . 68.7 p -118.32 178.91 4.27 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.882 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 27' ' ' GLU . 6.7 mt -80.1 -38.07 32.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.966 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.563 ' H ' ' HA ' ' A' ' 29' ' ' SER . 36.0 t -65.04 -9.14 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.19 -28.1 24.97 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.966 0.413 . . . . 0.0 110.211 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.406 ' OH ' HD21 ' A' ' 59' ' ' LEU . 10.7 m-85 -125.74 -3.58 7.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.335 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t30 77.58 38.66 0.2 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.421 0.629 . . . . 0.0 109.643 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.571 HG23 ' CB ' ' A' ' 74' ' ' SER . 8.2 mt -66.56 115.7 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.44 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -84.35 -135.09 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.462 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.37 -39.82 7.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.232 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -84.19 44.83 1.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.219 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.571 ' CB ' HG23 ' A' ' 70' ' ' ILE . 94.9 p -102.7 140.09 37.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.998 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.4 m -101.61 97.06 7.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.867 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.402 HD22 HD12 ' A' ' 12' ' ' ILE . 3.5 mp -82.0 156.94 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.799 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -117.46 109.44 16.76 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.562 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 16' ' ' THR . 4.4 tt -107.99 139.23 42.92 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 96' ' ' LEU . 2.1 t -106.94 126.22 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.187 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 80' ' ' LEU . 34.2 mt -97.82 102.34 14.07 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.646 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.4 ptt85 -66.79 144.49 56.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.387 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tp -81.23 106.78 13.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.385 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -27.88 69.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.726 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.91 -166.42 42.51 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.31 -87.81 0.05 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.8 t -148.45 126.21 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.666 0.269 . . . . 0.0 110.345 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.6 ttm -80.36 -18.94 47.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.565 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.73 -11.06 15.39 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -78.83 -137.71 1.34 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.68 -71.18 0.36 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.736 0.303 . . . . 0.0 110.586 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.71 126.78 33.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.377 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -142.73 34.9 1.42 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.64 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 94' ' ' GLU . 0.5 OUTLIER 59.17 69.39 0.72 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.664 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 1.009 ' H ' HD22 ' A' ' 96' ' ' LEU . 23.0 tt0 156.73 -82.48 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.462 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.431 ' N ' ' HG2' ' A' ' 94' ' ' GLU . 7.4 pt-20 -63.25 -10.26 14.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.274 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.009 HD22 ' H ' ' A' ' 94' ' ' GLU . 0.6 OUTLIER -70.71 -11.13 60.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.772 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.715 ' N ' HD23 ' A' ' 96' ' ' LEU . 1.8 mt -95.24 -53.81 7.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 120.704 0.288 . . . . 0.0 110.347 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.0 ptt85 -66.79 -39.49 87.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.976 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 10.9 ptmm? -65.43 -30.72 71.55 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.184 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.76 -26.07 49.59 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.723 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.543 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 42.9 mt -78.44 -29.25 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -93.93 -11.22 31.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.295 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -90.24 -73.96 0.51 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -177.731 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 t -97.82 -11.52 23.21 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.635 HD21 ' H ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -76.49 -37.65 56.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.788 0.328 . . . . 0.0 110.694 -179.611 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -81.36 -36.36 29.73 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.105 0.479 . . . . 0.0 109.982 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -56.1 -41.92 75.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.131 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.8 t -72.4 -28.13 62.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.339 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -74.09 -4.01 32.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.758 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -53.94 -40.29 66.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.618 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -64.19 -34.14 77.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.391 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.74 -28.58 73.76 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.32 -25.1 59.88 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.515 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.3 m80 64.06 172.95 0.18 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.41 -58.69 0.57 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.817 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -134.88 141.21 46.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.873 0.368 . . . . 0.0 110.569 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -147.15 149.26 32.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -147.01 171.88 14.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.13 9.18 1.1 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.486 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.73 126.54 5.86 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -79.99 -155.15 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.787 0.327 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.25 121.7 45.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.969 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -124.08 113.79 18.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.398 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.446 HG12 HG22 ' A' ' 26' ' ' VAL . 17.7 pt -76.43 175.98 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.837 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.17 131.94 54.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.86 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.32 145.25 48.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.02 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.12 118.22 19.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.425 HG22 HD22 ' A' ' 78' ' ' LEU . 36.7 p -64.63 162.53 15.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.07 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.547 HD23 ' CB ' ' A' ' 91' ' ' ALA . 12.8 tp -67.6 -10.15 49.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.272 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -88.67 -15.4 35.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.53 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.14 24.55 8.91 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.87 126.5 42.06 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -91.16 127.99 36.81 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.759 0.314 . . . . 0.0 111.046 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.605 HD13 HD11 ' A' ' 39' ' ' ILE . 15.0 mt -133.59 132.46 57.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.546 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -107.2 130.42 54.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.229 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.26 140.14 48.52 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.63 106.32 10.52 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.678 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG22 HG12 ' A' ' 12' ' ' ILE . 3.3 m -130.42 -172.76 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.093 0.473 . . . . 0.0 111.222 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.544 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.8 mm-40 -113.28 163.73 14.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.024 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 30.3 t -65.0 -18.02 64.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.084 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.607 ' HA ' ' H ' ' A' ' 66' ' ' SER . 83.5 p -119.09 4.51 11.35 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.49 154.01 0.32 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.449 HG22 HG22 ' A' ' 64' ' ' THR . 27.9 p -98.51 160.92 13.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.628 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.452 HD11 HD22 ' A' ' 59' ' ' LEU . 14.9 mm -53.19 -50.69 45.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.247 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -45.33 -45.58 12.45 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.788 0.328 . . . . 0.0 110.328 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -65.14 -36.77 85.28 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.648 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.77 -45.9 97.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HG2' HE22 ' A' ' 50' ' ' GLN . 37.2 mttp -59.02 -63.98 1.11 Allowed 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.858 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.0 p -49.56 -50.73 41.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.624 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -48.59 -32.92 8.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.27 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.605 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -71.36 -42.06 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.397 179.538 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -57.32 -27.23 62.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.841 0.353 . . . . 0.0 110.646 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -73.42 -27.72 61.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -91.06 -40.67 11.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.422 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' A' ' 45' ' ' ILE . 34.1 mt-10 -123.13 7.68 9.18 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 74.04 -34.46 0.91 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.487 ' H ' ' C ' ' A' ' 43' ' ' GLU . 36.3 mm -37.5 121.26 0.92 Allowed Pre-proline 0 N--CA 1.464 0.271 0 CA-C-O 120.581 0.229 . . . . 0.0 111.294 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -62.17 134.68 50.37 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.161 1.907 . . . . 0.0 111.664 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -47.95 -34.21 22.04 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 123.002 2.468 . . . . 0.0 112.692 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.29 -41.44 33.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.312 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -63.53 -16.81 61.79 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.074 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.426 HE22 ' HG2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -115.42 159.66 20.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.944 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.35 163.99 29.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.937 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -133.93 129.09 35.81 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.037 0.446 . . . . 0.0 111.444 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.619 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -120.44 134.43 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.666 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.414 ' HB3' HD11 ' A' ' 59' ' ' LEU . 1.1 t-105 -151.89 137.97 18.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.001 0.429 . . . . 0.0 111.192 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.605 ' N ' HD21 ' A' ' 105' ' ' LEU . . . 59.17 46.77 12.62 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.709 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.489 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 63.29 -5.73 0.6 Allowed Glycine 0 CA--C 1.528 0.864 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.317 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 55' ' ' ALA . 23.9 ttpt -118.78 126.68 52.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.971 0.415 . . . . 0.0 110.631 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.24 127.82 33.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.963 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.587 HD12 ' HB3' ' A' ' 52' ' ' LEU . 22.2 mt -64.82 114.44 4.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.377 . . . . 0.0 110.773 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.6 143.73 28.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -45.14 -38.5 5.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.403 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.38 -1.04 68.72 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.246 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -84.22 147.93 27.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.449 HG22 HG22 ' A' ' 31' ' ' THR . 41.2 p -115.61 -178.0 3.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.457 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.7 mt -92.35 -38.73 11.87 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.394 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.607 ' H ' ' HA ' ' A' ' 29' ' ' SER . 25.5 t -69.34 -9.69 54.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.513 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.456 ' CG ' ' N ' ' A' ' 68' ' ' TYR . 16.0 p-10 -52.84 -57.3 10.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.371 . . . . 0.0 110.112 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.456 ' N ' ' CG ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -95.6 0.78 53.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.728 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 72.8 35.99 0.97 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.235 0.54 . . . . 0.0 110.146 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.67 119.98 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.5 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -156.27 0.06 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.886 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.462 ' C ' ' H ' ' A' ' 74' ' ' SER . 18.3 ptt85 -98.68 -38.07 9.25 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.31 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -77.85 27.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 110.124 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.462 ' H ' ' C ' ' A' ' 72' ' ' ARG . 5.6 m -89.02 146.17 25.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.796 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 m -102.91 104.24 14.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.221 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mp -82.85 143.28 30.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.476 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -107.56 108.39 19.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.512 HD12 HD11 ' A' ' 52' ' ' LEU . 5.5 tt -104.61 142.33 34.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.286 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.407 HG21 HD13 ' A' ' 53' ' ' ILE . 27.5 m -120.82 145.49 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.8 mt -114.56 139.41 49.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.679 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -78.54 -179.19 6.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.557 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.498 HD13 ' H ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -140.49 89.55 2.29 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.616 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.14 -5.2 55.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.556 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.498 ' H ' HD13 ' A' ' 82' ' ' LEU . . . -73.56 174.41 48.11 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.39 -27.84 21.53 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.1 t -87.05 122.92 31.54 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.766 0.317 . . . . 0.0 110.815 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 69.9 mtm -95.97 3.62 53.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.349 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -50.42 99.47 0.03 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 149.78 146.81 4.4 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -47.77 -71.51 0.07 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.784 0.326 . . . . 0.0 110.542 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.547 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -79.05 150.11 31.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.167 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.434 ' C ' ' HB2' ' A' ' 82' ' ' LEU . 42.5 m-20 -140.79 -121.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.531 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.782 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.5 tt0 -99.14 -49.72 4.4 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.212 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.43 ' HG3' ' H ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -96.74 -48.24 5.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.214 -179.282 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 97' ' ' ILE . 1.9 mt-10 -48.66 -44.63 37.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.973 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.782 HD22 ' O ' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -34.54 -28.44 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -178.259 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.705 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.4 mt -81.96 -59.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.615 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -64.38 -27.88 69.31 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -69.07 -44.45 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.169 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.63 -22.88 60.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.563 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.441 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 45.6 mt -78.82 -34.27 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.438 ' HA ' ' HG2' ' A' ' 106' ' ' LYS . 0.8 OUTLIER -93.61 -12.23 29.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.387 179.677 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 17' ' ' LEU . 20.9 mt -93.81 -73.45 0.57 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.9 p -90.97 -11.36 39.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.605 HD21 ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -84.91 -32.81 22.93 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.361 -179.086 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.438 ' HG2' ' HA ' ' A' ' 102' ' ' GLU . 24.6 mmtt -86.51 -22.77 26.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.04 0.448 . . . . 0.0 110.234 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.71 -29.42 70.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.717 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.8 t -92.09 -17.88 24.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.543 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.3 -57.16 4.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.815 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -61.14 -41.55 96.95 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.667 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.2 t -71.56 -30.1 65.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.366 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.05 -2.83 89.21 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.41 -26.84 59.93 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.468 179.866 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mtt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -76.79 -88.73 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -114.52 -135.64 0.36 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.175 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -156.08 114.55 3.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.74 0.305 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -29.86 22.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.158 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.401 ' CE1' ' HD1' ' A' ' 7' ' ' HIS . 0.5 OUTLIER 55.18 -161.47 0.16 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.565 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' A' ' 8' ' ' GLY . 32.0 p-80 -81.04 -126.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.026 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.406 ' H ' ' CD2' ' A' ' 7' ' ' HIS . . . -61.78 156.05 36.77 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -146.04 159.85 42.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.679 0.276 . . . . 0.0 110.419 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.3 120.22 40.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.035 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.457 ' HB3' HG22 ' A' ' 23' ' ' THR . 12.2 mt-30 -125.3 113.68 17.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.458 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.56 HD12 HD22 ' A' ' 76' ' ' LEU . 28.4 pt -74.15 179.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.271 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -127.22 136.5 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.288 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.79 143.43 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.254 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -123.63 117.78 25.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.748 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.536 HG22 HD22 ' A' ' 78' ' ' LEU . 41.1 p -67.11 168.41 10.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.181 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.612 HD11 HD21 ' A' ' 103' ' ' LEU . 14.0 tp -66.25 -15.79 63.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.236 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.9 p -85.15 -20.53 30.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.492 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.59 40.44 3.17 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 8.7 tmtm? -104.43 127.35 52.1 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.64 122.54 30.7 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.816 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.687 HD13 HD11 ' A' ' 39' ' ' ILE . 9.0 mt -132.92 132.47 59.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.417 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 11' ' ' GLN . 12.3 m -100.58 132.24 46.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.132 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 mt -123.96 127.29 47.72 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.051 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -76.14 97.21 4.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.172 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.435 HG22 HG12 ' A' ' 12' ' ' ILE . 10.8 m -132.37 -170.14 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.164 0.507 . . . . 0.0 111.695 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.662 ' O ' HD12 ' A' ' 65' ' ' LEU . 14.3 mt-10 -107.23 156.64 18.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.71 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.7 p -64.19 -15.72 60.47 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.055 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.664 ' HA ' ' H ' ' A' ' 66' ' ' SER . 14.3 t -121.59 3.53 10.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.352 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.02 164.14 0.05 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.731 0.3 . . . . 0.0 110.792 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.2 p -96.91 161.24 13.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.429 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 29.3 mm -52.05 -46.56 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.57 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -47.6 -40.04 18.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -68.92 -43.14 75.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.679 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -65.4 -39.72 86.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.56 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.515 ' HA ' ' NE2' ' A' ' 50' ' ' GLN . 13.2 mttp -65.78 -63.63 1.04 Allowed 'General case' 0 N--CA 1.458 -0.046 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.071 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 98.9 p -46.77 -48.75 20.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.969 0.414 . . . . 0.0 110.051 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -52.71 -35.51 55.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.044 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.687 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -67.14 -47.29 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.721 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.491 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -58.27 -25.87 62.29 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.035 -179.261 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.491 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 21.7 t70 -74.39 -26.21 59.96 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -91.64 -39.31 11.93 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.341 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 45' ' ' ILE . 33.6 mt-10 -120.02 5.91 10.85 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.22 -41.01 1.28 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.437 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 11.5 mm -40.22 110.17 0.65 Allowed Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 122.128 0.171 . . . . 0.0 111.147 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 3.1 Cg_exo -50.3 144.6 23.2 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.415 2.076 . . . . 0.0 112.142 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -49.17 -33.89 29.04 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.971 2.447 . . . . 0.0 112.336 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -76.52 -41.53 46.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.283 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -58.81 -18.44 32.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.318 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.584 ' NE2' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -119.71 165.51 14.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.382 . . . . 0.0 111.019 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -142.11 171.48 13.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.834 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -129.83 118.41 21.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.934 0.397 . . . . 0.0 110.422 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.654 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -113.47 122.85 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.561 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -130.93 131.58 44.55 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.036 0.446 . . . . 0.0 111.192 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.478 ' H ' ' CD1' ' A' ' 105' ' ' LEU . . . 55.25 59.49 3.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.783 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.7 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 55.65 4.24 0.59 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-N 116.2 -0.454 . . . . 0.0 112.99 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -122.6 135.74 54.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 117.292 0.546 . . . . 0.0 110.94 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -72.32 130.21 40.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.836 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 52' ' ' LEU . 48.0 mt -79.3 134.29 36.63 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.728 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -90.67 140.71 29.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.409 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.471 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 6.1 p-10 -48.93 -30.23 5.68 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.455 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.97 -1.9 85.86 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -77.39 152.48 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 p -113.94 162.22 16.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.465 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.4 mt -70.68 -44.67 66.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.549 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.664 ' H ' ' HA ' ' A' ' 29' ' ' SER . 23.7 t -65.6 -9.9 30.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.134 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.68 -61.06 2.55 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.54 -0.41 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.255 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 77.51 49.3 0.05 OUTLIER 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.063 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.462 HG21 HD22 ' A' ' 65' ' ' LEU . 33.7 mm -78.23 116.02 21.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -80.52 -131.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.474 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -101.16 -42.84 6.2 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.079 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.48 85.27 2.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.4 m -131.24 151.27 51.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.542 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 m -98.58 96.8 8.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.56 HD22 HD12 ' A' ' 12' ' ' ILE . 4.3 mp -83.56 98.21 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.845 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -62.57 110.47 1.71 Allowed 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.596 HD13 HG13 ' A' ' 39' ' ' ILE . 5.3 tt -107.13 138.99 42.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.407 HG13 ' CD1' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -94.37 142.25 13.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.925 179.579 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -119.26 116.32 26.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.51 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.425 ' HG2' ' HG3' ' A' ' 93' ' ' GLU . 3.3 ttm-85 -82.19 -156.2 0.16 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.566 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.406 HD23 ' H ' ' A' ' 84' ' ' GLY . 0.6 OUTLIER -59.61 108.44 0.73 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.888 0.375 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -80.91 -28.28 35.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.636 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.406 ' H ' HD23 ' A' ' 82' ' ' LEU . . . 148.08 89.68 0.08 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 53.53 45.18 67.61 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 t -149.06 50.1 0.98 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.2 ptp -74.88 -40.33 61.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.544 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.87 -108.78 0.2 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -145.69 -8.09 0.34 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.406 ' HA ' ' HE3' ' A' ' 99' ' ' LYS . . . -83.3 -11.48 57.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.782 0.325 . . . . 0.0 110.666 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.83 107.55 0.05 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.717 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -122.23 44.45 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.725 0.298 . . . . 0.0 110.98 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 5.2 mp0 48.45 69.86 0.51 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.53 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.707 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.5 mt-10 151.49 -73.35 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -61.69 -9.14 5.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.233 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.707 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.2 pt? -69.15 -16.25 63.6 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.333 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.4 mt -95.31 -52.26 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -61.18 -35.37 76.96 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.82 0.343 . . . . 0.0 110.499 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.585 ' O ' HD23 ' A' ' 103' ' ' LEU . 3.3 ptmm? -76.26 -31.05 58.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.342 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.56 -30.2 68.92 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.7 HG23 ' HA2' ' A' ' 56' ' ' GLY . 25.6 mt -80.15 -28.96 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.274 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -92.98 -12.19 31.35 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.699 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.886 HD12 ' N ' ' A' ' 104' ' ' SER . 2.6 pp -97.18 -70.25 0.73 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 119.073 -1.051 . . . . 0.0 113.379 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.886 ' N ' HD12 ' A' ' 103' ' ' LEU . 25.6 t -99.54 -9.8 22.85 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -177.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 3.9 mm? -92.9 -45.68 7.86 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -56.35 -33.0 65.25 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.653 -179.545 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -73.86 -39.82 63.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.02 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.2 t -76.11 -14.45 60.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.439 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -58.77 -45.3 90.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.368 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -63.16 -35.51 80.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.005 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -89.15 13.85 12.22 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.271 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.69 -12.02 39.06 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.89 -17.18 42.4 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 92.5 t80 . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.3 179.802 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 57.6 t60 59.79 97.77 0.03 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.871 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 m80 54.56 73.31 0.41 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -125.95 -16.42 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.456 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.73 -168.91 1.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.691 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -92.2 89.5 6.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.58 -21.27 24.15 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.264 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.63 163.39 10.2 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -133.05 -18.31 2.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.548 0.213 . . . . 0.0 110.896 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -108.38 121.2 44.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.943 0.401 . . . . 0.0 110.874 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.482 ' HB3' HG22 ' A' ' 23' ' ' THR . 1.2 mp0 -125.36 117.15 23.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.807 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.504 HD12 HD22 ' A' ' 76' ' ' LEU . 40.8 pt -73.26 174.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.268 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -119.47 130.81 55.42 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.216 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.49 130.36 55.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.173 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HG3' ' H ' ' A' ' 16' ' ' THR . 1.1 tppt? -108.18 157.27 18.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.186 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.41 ' H ' ' HG3' ' A' ' 15' ' ' LYS . 69.5 p -112.54 164.23 13.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.402 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.764 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.3 tm? -54.23 -46.62 72.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.665 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.1 p -64.99 -21.88 66.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.838 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.51 47.74 1.49 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -105.67 131.0 53.57 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -90.23 129.65 36.45 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.022 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.84 128.07 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.298 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.482 HG22 ' HB3' ' A' ' 11' ' ' GLN . 2.8 m -108.35 128.48 54.8 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.416 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.425 HD12 HG13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -133.1 140.19 47.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.665 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.24 96.74 7.96 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 m -118.58 -178.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.921 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.714 ' O ' HD12 ' A' ' 65' ' ' LEU . 17.7 mm-40 -103.63 155.77 18.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.833 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.4 p -60.97 -23.05 65.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.33 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.603 ' HA ' ' H ' ' A' ' 66' ' ' SER . 1.4 m -115.15 4.05 14.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.569 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.09 160.87 0.18 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.897 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 p -98.61 158.8 15.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.459 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 40.9 mm -52.43 -48.19 46.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.513 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.25 -48.14 35.6 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.717 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -62.85 -44.45 96.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.045 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.2 t -57.34 -47.14 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.688 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 39' ' ' ILE . 29.2 mtpt -59.74 -62.21 2.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.061 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.4 p -45.94 -46.64 16.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.978 0.418 . . . . 0.0 109.879 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 9.4 mptt -49.26 -38.68 27.77 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.7 179.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -65.11 -42.89 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.497 179.657 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.418 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 1.5 pt20 -57.33 -27.45 62.23 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.752 0.31 . . . . 0.0 110.754 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.53 -27.4 61.33 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.709 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 40.2 mmtm -92.27 -40.85 10.73 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.137 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -118.64 4.98 11.61 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.81 -42.52 1.82 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.701 HG21 ' CD2' ' A' ' 80' ' ' LEU . 8.0 mm -38.01 118.72 0.96 Allowed Pre-proline 0 N--CA 1.464 0.241 0 CA-C-N 115.855 -0.173 . . . . 0.0 111.321 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.4 Cg_exo -70.59 143.49 46.97 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.199 1.933 . . . . 0.0 111.782 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -47.04 -35.68 19.32 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 123.031 2.487 . . . . 0.0 112.341 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -56.2 -32.53 64.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.025 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.411 ' HA ' ' HE ' ' A' ' 83' ' ' ARG . 3.6 tt0 -95.31 -14.64 23.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.671 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.613 ' OE1' HD21 ' A' ' 78' ' ' LEU . 17.8 mm-40 -91.79 121.41 33.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.016 0.436 . . . . 0.0 111.221 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HB3' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -114.37 147.09 39.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.297 179.317 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.489 ' HB3' HD12 ' A' ' 59' ' ' LEU . 3.4 mm? -117.56 112.95 21.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.692 0.282 . . . . 0.0 111.183 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.584 HD11 ' HG2' ' A' ' 58' ' ' GLN . 1.4 mp -114.99 123.35 70.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CB ' HD11 ' A' ' 59' ' ' LEU . 81.0 t90 -142.56 138.14 30.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.178 0.513 . . . . 0.0 110.964 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.507 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 60.11 55.08 3.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.798 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.559 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 55.84 8.09 1.96 Allowed Glycine 0 CA--C 1.529 0.915 0 CA-C-N 116.229 -0.442 . . . . 0.0 112.894 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -133.51 148.0 51.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.295 0.547 . . . . 0.0 111.26 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.584 ' HG2' HD11 ' A' ' 53' ' ' ILE . 5.5 mt-30 -76.39 122.6 24.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.849 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.495 HD11 ' CB ' ' A' ' 54' ' ' TRP . 94.8 mt -68.96 129.6 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.922 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.12 128.9 34.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.086 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -53.79 -20.12 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.727 -179.012 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.58 -3.85 90.52 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -77.72 159.91 28.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.408 . . . . 0.0 111.051 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.7 p -117.58 167.95 10.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.45 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.2 mt -75.82 -36.61 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.304 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.603 ' H ' ' HA ' ' A' ' 29' ' ' SER . 70.4 p -77.82 -10.57 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.134 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.66 -61.81 2.11 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -88.52 2.63 52.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.408 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER 77.42 12.91 2.0 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.132 0.491 . . . . 0.0 110.351 -179.626 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 mt -42.75 110.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.417 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -81.2 -145.38 0.05 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HA ' HG22 ' A' ' 12' ' ' ILE . 10.6 ptt180 -99.24 -40.7 7.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.175 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.77 45.12 0.49 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.415 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -113.33 143.65 44.08 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.679 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.2 m -98.81 101.93 13.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.292 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.504 HD22 HD12 ' A' ' 12' ' ' ILE . 3.8 mp -81.48 101.0 9.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.002 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -67.36 109.33 3.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.973 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.613 HD21 ' OE1' ' A' ' 50' ' ' GLN . 7.3 tt -110.57 144.97 38.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.273 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.481 ' HB ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -128.05 119.88 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.064 179.725 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.701 ' CD2' HG21 ' A' ' 45' ' ' ILE . 5.6 mt -75.17 131.75 40.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.366 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.452 ' HD3' ' NH2' ' A' ' 83' ' ' ARG . 5.3 mtt-85 -86.6 174.96 8.56 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.071 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.57 104.12 7.95 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.818 0.342 . . . . 0.0 111.075 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.452 ' NH2' ' HD3' ' A' ' 81' ' ' ARG . 56.9 mtt-85 -111.41 30.2 7.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.398 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -141.59 -170.05 12.21 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.19 -160.22 21.29 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.3 t 49.46 46.45 23.34 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.994 0.426 . . . . 0.0 110.424 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -14.24 58.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.966 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.75 98.02 0.09 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.25 162.36 29.13 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.406 ' C ' ' HZ2' ' A' ' 99' ' ' LYS . . . -63.89 -27.86 69.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.742 -0.229 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.596 ' HB2' ' NZ ' ' A' ' 99' ' ' LYS . . . -122.65 149.33 44.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.369 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -147.91 -111.67 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.639 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.723 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.6 tt0 -115.31 -40.46 3.43 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.332 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -106.19 -46.3 4.1 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.672 0.272 . . . . 0.0 110.889 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 7.0 pt-20 -61.29 -10.65 7.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.265 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.723 HD22 ' O ' ' A' ' 93' ' ' GLU . 1.1 pt? -70.12 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.954 0.406 . . . . 0.0 109.984 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.59 ' N ' HD23 ' A' ' 96' ' ' LEU . 7.4 mt -96.52 -51.87 10.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.994 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 99' ' ' LYS . 10.4 ptp180 -49.72 -43.15 47.44 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.184 -178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.669 ' CG ' ' H ' ' A' ' 100' ' ' ALA . 1.2 ptmt -74.9 -71.0 0.38 Allowed 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.967 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.669 ' H ' ' CG ' ' A' ' 99' ' ' LYS . . . -34.23 -30.6 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.499 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 26.1 mt -80.69 -50.91 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.696 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 4.1 tp10 -83.91 -9.63 58.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.455 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 99' ' ' LYS . 11.7 tp -93.73 -73.21 0.58 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.3 t -99.14 -11.15 21.66 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.559 ' HG ' ' H ' ' A' ' 56' ' ' GLY . 0.5 OUTLIER -94.09 -37.41 11.63 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.564 -0.454 . . . . 0.0 112.128 -178.472 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -75.45 -28.39 59.28 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.518 -179.755 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -60.64 -50.61 72.81 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.0 m -65.68 -23.27 66.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.07 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.469 HH21 ' C ' ' A' ' 105' ' ' LEU . 7.7 ttm180 -73.94 -29.46 62.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.171 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -77.93 -3.92 44.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.769 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 t -55.31 -38.56 68.83 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.614 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.53 -38.32 96.16 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.8 -45.71 95.95 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.521 179.783 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.62 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 0.7 OUTLIER -61.04 176.28 0.44 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.563 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.62 ' CG ' ' O ' ' A' ' 2' ' ' HIS . 11.1 p80 58.26 -34.9 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.04 0.837 . . . . 0.0 112.782 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.524 ' H ' ' C ' ' A' ' 2' ' ' HIS . 70.4 m-70 50.6 -162.36 0.06 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.694 0.283 . . . . 0.0 110.865 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.6 m80 55.33 -95.44 0.05 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 55.96 63.09 2.13 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.057 0.456 . . . . 0.0 110.614 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -75.92 -30.68 58.83 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.912 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.27 67.91 1.83 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.711 -0.955 . . . . 0.0 110.711 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -107.32 -4.79 18.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.599 0.238 . . . . 0.0 110.713 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -117.48 122.09 42.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.363 . . . . 0.0 110.167 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -125.19 117.88 24.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.685 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.0 pt -76.21 179.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.648 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -127.03 135.39 50.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.745 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.2 145.37 48.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.103 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.39 115.33 20.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.5 p -64.75 162.91 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.333 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.586 HD11 HD21 ' A' ' 103' ' ' LEU . 11.2 tp -65.9 -11.11 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.579 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.9 p -87.32 -19.66 27.89 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.333 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.8 35.82 4.18 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.23 132.84 50.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.589 0.233 . . . . 0.0 110.461 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.75 125.54 34.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.268 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.509 HD13 HD11 ' A' ' 39' ' ' ILE . 31.0 mt -132.62 129.03 58.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.492 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 m -106.83 129.67 54.64 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -132.46 138.45 47.6 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.012 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -80.26 107.88 13.41 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.662 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.0 m -131.81 170.68 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.246 0.546 . . . . 0.0 111.596 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.624 ' O ' HD12 ' A' ' 65' ' ' LEU . 16.2 mt-10 -87.06 159.23 19.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.885 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 11.5 t -67.05 -17.15 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.507 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.617 ' HA ' ' H ' ' A' ' 66' ' ' SER . 95.0 p -118.36 3.53 11.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.518 -178.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.49 160.83 0.1 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.814 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.623 HG22 HG22 ' A' ' 64' ' ' THR . 28.4 p -106.83 171.58 7.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.816 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.1 mm -54.55 -51.95 45.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.263 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.67 -47.42 10.56 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.558 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -64.76 -39.76 94.16 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.067 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' THR . 84.3 t -63.59 -47.25 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.811 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HZ2' HE21 ' A' ' 50' ' ' GLN . 0.1 OUTLIER -59.11 -64.1 1.06 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.099 179.546 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t -49.34 -48.16 46.79 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.155 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -48.22 -34.79 10.74 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.016 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.509 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -70.88 -41.83 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.614 179.688 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 44' ' ' GLY . 2.3 pt20 -55.95 -30.42 61.67 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.767 0.317 . . . . 0.0 110.496 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -23.61 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -92.11 -42.85 9.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.354 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 45' ' ' ILE . 51.2 mt-10 -123.31 7.1 9.05 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 74.64 -31.89 1.02 Allowed Glycine 0 CA--C 1.528 0.878 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.595 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.45 ' H ' ' C ' ' A' ' 43' ' ' GLU . 37.3 mm -38.48 133.81 0.98 Allowed Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.139 0.176 . . . . 0.0 111.451 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.4 Cg_exo -69.78 130.66 19.7 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.311 2.007 . . . . 0.0 111.593 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -47.99 -35.36 25.1 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.8 2.334 . . . . 0.0 112.637 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.77 -43.12 63.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' C ' ' HE ' ' A' ' 81' ' ' ARG . 20.1 tt0 -65.06 -11.86 44.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.403 HE21 ' HZ2' ' A' ' 36' ' ' LYS . 8.1 mt-30 -89.57 -176.43 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.135 0.493 . . . . 0.0 111.077 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -167.64 146.74 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.096 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -129.26 121.92 28.58 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.141 -179.296 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.58 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.1 mp -115.72 126.06 73.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.825 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.573 ' HB2' HD11 ' A' ' 59' ' ' LEU . 69.2 t90 -137.7 132.88 33.52 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.018 0.437 . . . . 0.0 110.756 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.429 ' N ' ' CD1' ' A' ' 105' ' ' LEU . . . 59.03 59.03 2.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.734 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.838 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 55.14 6.96 0.98 Allowed Glycine 0 CA--C 1.53 0.976 0 CA-C-N 116.103 -0.498 . . . . 0.0 113.127 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -132.28 139.71 48.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 117.351 0.575 . . . . 0.0 111.048 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -71.56 123.11 21.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.007 179.404 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.624 HD22 ' HG2' ' A' ' 63' ' ' ARG . 54.9 mt -65.51 124.36 22.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 mp0 -79.4 137.7 37.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.001 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -41.79 -30.96 0.27 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.861 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.42 10.72 28.02 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.624 ' HG2' HD22 ' A' ' 59' ' ' LEU . 9.9 tpt180 -83.01 137.46 34.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 110.575 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.623 HG22 HG22 ' A' ' 31' ' ' THR . 10.8 p -111.96 165.83 11.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.771 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.9 mt -80.72 -40.19 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.884 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.617 ' H ' ' HA ' ' A' ' 29' ' ' SER . 17.0 p -70.32 -9.44 56.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.941 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -52.29 -61.6 2.17 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -94.35 0.94 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.21 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.7 m120 72.95 36.3 0.89 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.355 0.598 . . . . 0.0 109.657 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.4 mt -60.81 120.13 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.933 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -79.83 -143.43 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.134 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -101.5 -29.42 12.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.729 0.3 . . . . 0.0 110.311 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.47 54.6 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 m -122.76 146.34 47.6 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.9 m -101.83 98.65 8.87 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.158 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.71 96.56 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.623 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.517 ' O ' HD23 ' A' ' 52' ' ' LEU . 21.1 m80 -61.32 106.28 0.61 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.809 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tt -102.9 144.84 30.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.346 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.623 HG12 HD12 ' A' ' 96' ' ' LEU . 34.0 t -121.18 147.92 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.794 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.441 HD11 HG21 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -120.89 121.1 37.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.025 179.374 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.425 ' HE ' ' C ' ' A' ' 49' ' ' GLN . 9.8 ptp180 -77.86 175.52 9.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.906 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -114.11 130.4 56.58 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -27.84 69.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.602 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.95 -90.01 0.48 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.22 -69.14 0.09 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.8 t -122.84 81.35 1.86 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.96 0.41 . . . . 0.0 110.003 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -65.62 -13.22 58.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.777 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.32 2.07 89.25 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -92.13 -168.42 40.41 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.11 -61.36 1.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.835 0.35 . . . . 0.0 110.367 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.433 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -99.53 130.97 45.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.453 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -139.85 -124.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.831 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.567 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 10.9 tp10 -120.4 81.25 1.73 Allowed 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.742 ' H ' HD22 ' A' ' 96' ' ' LEU . 28.8 tt0 143.3 -65.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.351 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -61.98 -9.35 6.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.742 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.4 pt? -67.59 -21.6 65.41 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.905 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.497 ' H ' HD23 ' A' ' 96' ' ' LEU . 5.3 mt -96.04 -52.64 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.593 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -60.06 -36.92 78.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.515 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.572 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -80.15 -30.29 38.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.656 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.41 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -69.95 -22.36 63.18 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.681 HG23 ' HA2' ' A' ' 56' ' ' GLY . 44.6 mt -89.59 -29.52 5.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.194 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 5.6 tt0 -93.54 -11.32 32.16 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.901 HD12 ' N ' ' A' ' 104' ' ' SER . 3.1 pp -95.27 -71.23 0.68 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 118.896 -1.122 . . . . 0.0 113.092 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.901 ' N ' HD12 ' A' ' 103' ' ' LEU . 15.0 t -100.85 -9.69 21.4 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.838 HD12 ' H ' ' A' ' 56' ' ' GLY . 3.1 mm? -89.69 -43.87 10.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.653 -177.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -61.57 -27.23 68.48 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.851 -179.597 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.98 -32.08 69.35 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.305 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -33.53 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.373 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 -77.08 -24.45 51.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.733 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.405 HD21 ' HD3' ' A' ' 106' ' ' LYS . 6.8 m120 -61.42 -45.22 95.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.455 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.0 p -68.8 -24.68 64.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.542 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -69.57 -20.01 75.2 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.45 -32.77 78.71 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.508 -179.901 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 ttm . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 60.55 -152.49 0.39 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.438 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.3 m80 58.74 -173.89 0.09 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.713 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.71 34.37 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.011 0.434 . . . . 0.0 110.489 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -70.37 147.85 49.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.747 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -77.73 174.01 11.45 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.796 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -137.14 173.09 12.07 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.391 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.28 -87.01 0.94 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -173.72 110.91 0.18 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CB ' ' HB3' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -116.08 165.07 13.56 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.127 0.965 . . . . 0.0 111.758 -178.495 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -60.49 122.12 13.83 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 113.362 -1.745 . . . . 0.0 110.592 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.99 -178.45 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.682 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -130.34 138.12 50.26 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.19 150.39 45.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.995 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -132.19 122.29 25.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.956 0.407 . . . . 0.0 111.407 -179.639 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -70.88 176.31 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.131 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.685 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.5 tm? -59.95 -48.93 79.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.115 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -61.52 -20.44 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.074 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.14 40.21 2.89 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -92.75 123.75 36.26 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.444 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.99 126.46 33.05 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.001 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.883 HD13 HD11 ' A' ' 39' ' ' ILE . 36.5 mt -133.18 128.85 56.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.575 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -103.95 127.51 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.217 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.711 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -132.14 139.85 48.56 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.126 0.489 . . . . 0.0 111.385 -179.488 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -81.06 107.26 13.72 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.587 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.66 -169.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.767 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.747 ' O ' HD12 ' A' ' 65' ' ' LEU . 14.0 mm-40 -117.42 157.31 26.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.511 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.1 p -62.01 -22.37 65.65 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.061 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.619 ' HA ' ' H ' ' A' ' 66' ' ' SER . 96.9 p -115.73 3.98 13.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.637 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.475 ' HB2' ' H ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -50.62 164.04 0.15 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.797 0.332 . . . . 0.0 110.829 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.1 p -97.65 156.76 16.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.2 mm -54.07 -43.29 58.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.087 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -47.83 -49.37 29.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.745 0.307 . . . . 0.0 110.461 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -63.46 -39.86 95.59 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.921 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.32 -48.79 86.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.507 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.531 ' HA ' HE22 ' A' ' 50' ' ' GLN . 44.7 mtmt -62.61 -60.35 3.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.134 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 m -47.07 -47.71 22.72 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.003 0.43 . . . . 0.0 109.874 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -49.26 -39.11 29.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.9 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.883 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -64.63 -40.73 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -58.97 -29.24 67.04 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.797 0.332 . . . . 0.0 110.561 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -73.77 -24.88 59.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 42' ' ' LYS . 6.8 mptt -90.31 -43.44 10.35 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.982 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' C ' ' H ' ' A' ' 45' ' ' ILE . 5.5 mt-10 -123.19 10.62 9.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.49 -38.45 0.71 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 121.048 -0.596 . . . . 0.0 111.92 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.664 HD12 HD21 ' A' ' 80' ' ' LEU . 1.9 mt -41.55 122.39 2.25 Favored Pre-proline 0 N--CA 1.464 0.261 0 CA-C-O 120.686 0.279 . . . . 0.0 111.602 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.18 139.94 86.41 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.485 2.123 . . . . 0.0 112.151 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.83 -33.87 52.75 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.834 2.356 . . . . 0.0 112.218 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -74.2 -40.01 62.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.18 -17.46 62.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.324 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.71 ' NE2' HD11 ' A' ' 78' ' ' LEU . 1.1 pp0? -123.09 173.07 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.424 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -151.41 169.99 20.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.526 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.627 ' HB3' HD12 ' A' ' 59' ' ' LEU . 4.2 mm? -113.55 114.03 25.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.162 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.5 mp -111.81 119.18 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.59 ' HB3' HD11 ' A' ' 59' ' ' LEU . 12.1 t-105 -143.61 137.32 28.25 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.12 0.486 . . . . 0.0 111.23 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.664 ' HA ' HD11 ' A' ' 105' ' ' LEU . . . 61.07 53.09 3.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.915 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.589 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 55.66 4.9 0.72 Allowed Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.692 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -125.42 131.92 52.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 117.106 0.453 . . . . 0.0 111.082 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -72.4 126.65 30.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.671 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' ' 52' ' ' LEU . 55.5 mt -79.38 145.02 33.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 110.662 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.99 139.05 31.03 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.713 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -55.33 -13.09 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.382 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.94 -8.01 60.77 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 159.14 27.13 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.925 0.362 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.69 159.55 20.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.454 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.0 mt -73.89 -39.6 63.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.328 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.619 ' H ' ' HA ' ' A' ' 29' ' ' SER . 15.1 t -70.59 -10.69 59.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.78 -24.35 66.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.932 0.396 . . . . 0.0 110.163 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.403 ' O ' ' CB ' ' A' ' 69' ' ' ASN . 22.6 t80 -125.78 -4.91 6.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.456 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER 78.31 30.75 0.4 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.23 0.538 . . . . 0.0 109.66 -179.102 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 mt -63.37 121.16 11.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -118.16 -172.1 2.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.678 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.488 ' HB3' ' CB ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -54.15 -50.57 66.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.467 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -71.98 37.41 0.07 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.406 -179.37 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.442 ' H ' ' C ' ' A' ' 72' ' ' ARG . 53.9 m -113.25 134.1 54.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.977 0.417 . . . . 0.0 110.589 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.9 m -98.83 103.92 15.92 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.004 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mp -86.27 155.27 20.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.609 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.4 ' O ' HD13 ' A' ' 52' ' ' LEU . 36.7 t-80 -121.31 113.51 20.02 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.71 HD11 ' NE2' ' A' ' 50' ' ' GLN . 4.7 tt -102.61 137.56 40.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 t -98.34 124.85 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.857 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.664 HD21 HD12 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -98.26 122.74 41.8 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.815 -179.44 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -72.82 -173.5 1.23 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.807 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.746 HD21 ' O ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -135.13 100.98 4.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.623 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -98.15 -28.21 13.83 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.424 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.09 153.8 6.39 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.74 20.66 72.42 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.746 ' O ' HD21 ' A' ' 82' ' ' LEU . 16.1 m -155.89 17.34 0.37 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.719 0.295 . . . . 0.0 110.53 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.472 ' N ' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -52.01 -57.31 9.86 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.66 -179.793 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 54.51 -94.13 0.02 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.1 -31.82 0.04 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.551 ' HB1' ' HE2' ' A' ' 99' ' ' LYS . . . -68.47 -71.23 0.22 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.778 0.323 . . . . 0.0 110.344 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.414 ' HB3' HD23 ' A' ' 82' ' ' LEU . . . -86.97 132.11 33.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.081 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -143.8 28.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.321 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 59.63 66.32 1.02 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.64 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.711 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.6 mt-10 162.16 -80.55 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.582 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -60.83 -10.19 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.556 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.711 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.2 pt? -58.12 -17.47 18.52 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.532 ' N ' HD23 ' A' ' 96' ' ' LEU . 4.1 mt -95.29 -55.62 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.612 0.244 . . . . 0.0 110.868 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -62.73 -34.27 76.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.926 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.551 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -73.67 -35.0 65.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.829 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.413 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -73.02 -25.51 60.99 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 109.878 179.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.526 HG23 ' HA2' ' A' ' 56' ' ' GLY . 39.9 mt -76.68 -31.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.424 ' HA ' ' HG2' ' A' ' 106' ' ' LYS . 32.5 mt-10 -94.32 -12.23 28.44 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.951 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 1.2 mm? -93.17 -73.46 0.56 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -177.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.4 t -94.56 -11.61 29.14 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.664 HD11 ' HA ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -79.52 -34.84 40.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.708 0.29 . . . . 0.0 110.628 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.424 ' HG2' ' HA ' ' A' ' 102' ' ' GLU . 24.7 mmtt -84.04 -28.17 27.81 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.89 -35.63 81.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.131 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.4 m -65.0 -40.79 95.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.329 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -70.54 -34.95 72.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.283 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -21.41 54.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.595 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.8 t -72.11 -12.19 61.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.64 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.64 -17.41 48.84 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.06 -67.18 2.15 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 35.2 p90 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.748 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 ttm . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -152.26 95.32 2.04 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.337 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -109.53 -146.45 0.4 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.424 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 67.02 -73.43 0.08 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.989 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.89 120.17 10.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.639 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.28 -123.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.206 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -148.62 -32.55 0.24 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.632 0.253 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.514 ' H ' ' NE ' ' A' ' 72' ' ' ARG . . . 76.83 10.71 85.95 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -178.87 64.31 0.01 OUTLIER 'General case' 0 C--O 1.233 0.225 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.82 -175.91 3.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.939 -178.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -62.59 175.08 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.572 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.461 HG12 HG22 ' A' ' 26' ' ' VAL . 22.8 pt -141.86 167.09 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.07 179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -112.74 125.07 53.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.17 130.19 56.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.868 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -116.64 117.46 29.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.3 p -66.27 163.93 16.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.387 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.705 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -55.45 -46.0 76.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.982 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.6 p -60.56 -22.27 63.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.71 47.1 1.68 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -105.15 134.94 47.42 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.63 118.23 26.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.752 0.311 . . . . 0.0 110.689 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.404 HD13 HD11 ' A' ' 39' ' ' ILE . 57.8 mt -132.88 132.66 59.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.519 ' C ' HD23 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -110.6 135.31 51.44 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -132.75 141.61 48.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.843 179.886 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -83.51 99.86 10.4 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.864 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG22 HG12 ' A' ' 12' ' ' ILE . 18.0 m -128.42 154.78 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.194 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.727 ' O ' HD12 ' A' ' 65' ' ' LEU . 19.7 mt-10 -76.82 159.63 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.786 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 1.8 m -65.2 -22.18 66.86 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.57 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.601 ' HA ' ' H ' ' A' ' 66' ' ' SER . 96.7 p -114.73 3.98 14.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.315 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.11 159.73 0.41 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.786 0.327 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.2 p -93.88 154.44 17.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.248 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 32' ' ' ILE . 27.7 mm -50.23 -45.77 24.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -48.9 -42.81 38.16 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.558 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -66.04 -40.11 90.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.044 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.76 -50.45 80.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.82 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -59.54 -59.67 5.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.077 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.7 p -48.36 -46.74 37.14 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.254 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -50.26 -37.33 35.38 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.404 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -68.12 -42.54 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 179.665 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.7 OUTLIER -57.95 -27.46 63.43 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.76 -179.596 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 3.5 t70 -72.65 -25.73 61.39 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -92.36 -40.99 10.59 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.03 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -115.17 3.46 14.34 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.83 -43.59 1.68 Allowed Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.418 ' H ' HG12 ' A' ' 45' ' ' ILE . 7.2 mm -41.56 118.72 1.87 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.5 0.19 . . . . 0.0 111.34 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -51.73 142.54 40.89 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.514 2.143 . . . . 0.0 112.088 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -50.81 -40.26 57.25 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 122.94 2.427 . . . . 0.0 112.343 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -66.02 -40.85 91.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -16.6 45.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.919 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -116.89 167.15 11.38 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.699 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.424 ' HD2' ' HE ' ' A' ' 81' ' ' ARG . 3.8 mtp85 -138.18 166.99 22.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.7 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.553 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -123.26 112.25 17.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 110.491 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.549 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.8 mp -111.83 122.07 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.483 ' CB ' HD11 ' A' ' 59' ' ' LEU . 77.8 t90 -137.32 135.59 37.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.959 0.409 . . . . 0.0 110.862 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 57.21 54.57 6.66 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.332 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.612 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 55.71 7.11 1.39 Allowed Glycine 0 CA--C 1.529 0.917 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.755 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -123.47 140.17 53.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 117.272 0.536 . . . . 0.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.85 124.2 27.37 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.94 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 52' ' ' LEU . 34.5 mt -78.91 137.37 37.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 110.436 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -90.92 141.51 28.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.693 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -19.92 2.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.261 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.51 -7.93 68.65 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.894 -0.483 . . . . 0.0 111.894 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -73.74 160.62 31.26 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.845 0.355 . . . . 0.0 110.942 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.0 p -118.75 164.58 15.17 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.402 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 27' ' ' GLU . 6.3 mt -76.72 -36.32 57.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.567 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.601 ' H ' ' HA ' ' A' ' 29' ' ' SER . 49.1 p -78.05 -10.43 59.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.494 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -53.3 -62.91 1.35 Allowed 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.03 6.1 43.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.384 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.8 34.92 1.46 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.6 mm -51.24 99.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.012 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -67.29 156.1 37.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.847 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.514 ' NE ' ' H ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -52.28 -48.82 65.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.655 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -80.13 55.37 2.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.0 t -110.63 138.97 46.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.503 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.5 m -91.72 99.04 12.0 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.039 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 76' ' ' LEU . 4.2 mm? -87.22 151.36 23.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.392 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.499 ' CG ' HD21 ' A' ' 105' ' ' LEU . 80.6 m-70 -121.76 117.05 25.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.928 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.433 HD12 ' CD2' ' A' ' 52' ' ' LEU . 5.0 tt -108.2 145.81 33.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.22 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' HD12 ' A' ' 96' ' ' LEU . 29.8 m -115.24 134.22 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.341 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mt -104.24 131.12 51.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.754 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.424 ' HE ' ' HD2' ' A' ' 51' ' ' ARG . 43.0 mtt180 -87.13 138.61 31.35 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.324 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.64 99.32 9.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.957 0.408 . . . . 0.0 110.605 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.03 -15.59 62.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.618 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.79 -42.29 59.22 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 149.56 -71.12 0.31 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.8 t -153.39 125.78 8.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.797 0.332 . . . . 0.0 110.581 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -45.63 31.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.442 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.36 -23.09 8.81 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.8 -123.72 2.21 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.8 -71.78 0.19 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.661 0.267 . . . . 0.0 110.645 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.57 -179.04 5.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.346 -0.388 . . . . 0.0 109.995 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.64 20.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.456 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 56.23 60.0 3.4 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.591 ' O ' HD23 ' A' ' 96' ' ' LEU . 23.9 tt0 169.03 -80.48 0.0 OUTLIER 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.021 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 97' ' ' ILE . 13.9 pt-20 -55.42 -24.12 28.69 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.473 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 94' ' ' GLU . 1.4 pt? -42.7 -19.35 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.422 ' N ' HD23 ' A' ' 96' ' ' LEU . 3.4 mt -90.48 -58.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.642 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -61.66 -32.4 72.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.125 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.603 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -81.08 -28.92 35.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.543 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -70.8 -22.36 62.37 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.612 HG23 ' HA2' ' A' ' 56' ' ' GLY . 19.8 mt -88.25 -30.71 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.259 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 106' ' ' LYS . 3.8 tt0 -92.83 -11.75 32.88 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.87 HD12 ' N ' ' A' ' 104' ' ' SER . 3.2 pp -96.2 -70.02 0.73 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.122 -1.031 . . . . 0.0 113.136 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.87 ' N ' HD12 ' A' ' 103' ' ' LEU . 26.9 m -100.41 -10.46 21.15 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.599 HD12 ' H ' ' A' ' 56' ' ' GLY . 3.9 mm? -93.22 -43.62 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -177.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -52.17 -29.46 22.38 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.252 -179.164 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.52 -36.37 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.578 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 86.7 p -90.8 -6.79 53.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -66.54 -54.57 22.25 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.419 -179.774 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -54.63 -43.92 72.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.698 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.2 p -72.29 -36.19 68.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.449 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.05 -37.55 95.14 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.405 ' C ' ' CG ' ' A' ' 114' ' ' TYR . . . -94.32 -6.61 61.25 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.405 ' CG ' ' C ' ' A' ' 113' ' ' GLY . 3.7 p90 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.684 -0.674 . . . . 0.0 111.006 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 ptt? . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -155.17 146.69 23.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.55 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -82.63 -171.52 3.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.503 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -86.82 53.28 2.77 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.354 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -82.36 7.97 12.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.66 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.0 t60 65.88 152.54 0.06 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -66.58 172.45 4.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.01 173.7 22.55 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -144.14 -153.26 0.46 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -113.38 120.22 40.33 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -127.15 120.61 29.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.296 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.451 HG23 ' CG2' ' A' ' 26' ' ' VAL . 30.8 pt -75.75 178.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -122.12 131.53 54.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.928 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.23 135.67 54.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.405 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -113.0 155.23 25.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.42 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.5 p -112.81 168.67 9.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.532 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 17' ' ' LEU . 9.7 tp -70.53 -3.92 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.298 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.5 p -104.99 -17.96 14.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.348 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.42 45.35 1.84 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 26.2 tptp -105.65 122.17 45.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -94.01 110.69 22.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.236 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.943 HD13 HD11 ' A' ' 39' ' ' ILE . 2.0 mp -115.99 133.31 62.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.0 m -106.27 127.81 53.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.118 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.401 HD12 HG11 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -132.03 135.67 46.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.748 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.44 96.35 6.03 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.706 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.451 ' CG2' HG23 ' A' ' 12' ' ' ILE . 33.9 m -124.01 177.25 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.256 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.685 ' O ' HD12 ' A' ' 65' ' ' LEU . 11.1 mt-10 -94.98 154.54 17.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.688 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -62.43 -18.67 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.504 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.643 ' HA ' ' H ' ' A' ' 66' ' ' SER . 11.9 t -116.5 4.25 13.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.327 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -48.34 161.46 0.12 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.719 0.295 . . . . 0.0 110.953 -179.763 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.1 p -94.4 157.28 16.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.796 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 28.8 mm -52.33 -47.96 45.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.171 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -47.19 -43.61 21.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.213 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -42.34 95.05 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.84 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -58.86 -49.76 81.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.566 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -62.45 -60.54 3.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.196 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.7 p -48.06 -52.49 19.94 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.533 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -51.21 -32.85 25.3 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.226 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.943 HD11 HD13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -74.17 -43.5 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.807 179.767 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.492 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -59.56 -29.37 67.88 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.531 -179.138 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.492 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 25.8 t70 -71.17 -28.49 64.29 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -92.76 -36.23 13.0 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.155 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.557 ' OE1' HD13 ' A' ' 39' ' ' ILE . 8.6 mp0 -115.05 1.8 14.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.42 -45.8 1.84 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.415 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 6.2 mm -37.49 111.89 0.57 Allowed Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 122.086 0.154 . . . . 0.0 111.386 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 2.8 Cg_endo -50.52 137.32 40.61 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 122.51 2.14 . . . . 0.0 111.921 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.437 ' HD3' ' CB ' ' A' ' 40' ' ' GLN . 2.5 Cg_endo -51.49 -44.27 44.83 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.732 2.288 . . . . 0.0 112.676 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.67 -18.2 65.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.352 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -84.29 -5.61 59.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.803 ' NE2' HD21 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -123.66 164.96 18.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.965 0.412 . . . . 0.0 111.226 -178.691 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.785 ' O ' HD12 ' A' ' 78' ' ' LEU . 8.4 mtp85 -137.95 162.43 34.09 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -117.94 109.89 17.05 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.58 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.8 mp -111.28 117.39 54.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.677 ' HB3' HD11 ' A' ' 59' ' ' LEU . 62.1 t-105 -130.53 135.08 47.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.966 0.412 . . . . 0.0 111.057 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 58.94 57.34 3.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.272 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.523 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 51.89 11.54 0.96 Allowed Glycine 0 CA--C 1.529 0.919 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.854 178.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -127.75 141.36 51.61 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 117.226 0.513 . . . . 0.0 111.116 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -77.34 126.59 31.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.988 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' ' 54' ' ' TRP . 36.3 mt -86.13 146.29 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.095 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -88.74 133.28 34.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.085 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 6.2 p-10 -49.83 -21.27 1.07 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.918 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.16 -0.51 88.72 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 121.292 -0.48 . . . . 0.0 111.978 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 mtt85 -74.81 164.06 26.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.841 0.353 . . . . 0.0 110.992 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.9 p -115.48 162.56 17.01 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.525 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.9 mt -71.14 -37.82 72.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.871 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.643 ' H ' ' HA ' ' A' ' 29' ' ' SER . 44.5 t -72.43 -10.39 59.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -56.2 -61.51 2.35 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -86.15 -0.85 56.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.282 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 75.8 45.61 0.12 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.295 0.569 . . . . 0.0 109.757 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.2 mt -82.89 143.77 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.705 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -137.37 179.86 6.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.343 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -52.51 -48.62 65.9 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.901 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -74.63 37.89 0.11 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.346 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.1 t -118.18 143.72 46.29 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.817 0.341 . . . . 0.0 110.639 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -103.44 104.38 14.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.148 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.6 mp -85.34 157.26 20.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.902 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.557 ' O ' HD13 ' A' ' 52' ' ' LEU . 8.5 m80 -117.58 107.81 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.676 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.803 HD21 ' NE2' ' A' ' 50' ' ' GLN . 24.8 tp -101.81 135.03 44.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.209 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.453 HG11 HD13 ' A' ' 96' ' ' LEU . 57.2 t -108.56 109.64 29.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.27 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.95 101.73 3.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.345 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 4.4 ttt180 -71.76 138.9 48.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.599 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.442 ' HA ' HD13 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -83.31 127.8 33.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.455 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -58.7 -20.64 50.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.263 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -162.62 118.53 0.82 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -60.01 95.11 0.07 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.422 ' H ' ' H ' ' A' ' 87' ' ' MET . 43.1 t -157.86 -11.35 0.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.636 0.255 . . . . 0.0 110.518 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.422 ' H ' ' H ' ' A' ' 86' ' ' SER . 1.1 ttt -60.38 -36.42 78.03 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.571 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.91 10.51 46.31 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.37 -146.92 12.9 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.81 ' HB1' ' HE2' ' A' ' 99' ' ' LYS . . . -73.57 -44.92 56.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 110.411 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . . . -103.51 133.91 47.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.179 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -153.77 51.97 0.69 Allowed 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.297 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.563 ' HA ' HD21 ' A' ' 96' ' ' LEU . 1.5 tm-20 43.76 71.16 0.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.49 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 19.4 tt0 149.62 -74.22 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.739 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.29 -9.73 19.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.523 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 97' ' ' ILE . 0.4 OUTLIER -79.71 -13.04 59.74 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.565 -179.764 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.63 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.3 mt -94.41 -49.04 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.273 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -65.19 -34.97 79.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.705 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.81 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -77.71 -27.68 50.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.412 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.496 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -80.03 -34.47 38.33 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.529 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 26.3 mt -67.43 -37.34 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.457 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.444 ' HA ' ' HG2' ' A' ' 106' ' ' LYS . 10.1 tp10 -93.46 -27.18 16.85 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.613 ' HG ' ' N ' ' A' ' 104' ' ' SER . 0.3 OUTLIER -97.35 -52.63 3.74 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.842 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.613 ' N ' ' HG ' ' A' ' 103' ' ' LEU . 75.8 p -97.02 -14.33 21.7 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.529 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 1.9 mm? -91.77 -27.38 18.05 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.522 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 102' ' ' GLU . 13.7 mmtp -85.74 -25.25 26.55 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.428 0.632 . . . . 0.0 109.316 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -76.63 -31.11 57.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.011 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -58.03 -29.27 65.21 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.386 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -57.47 -39.05 75.54 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.897 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -70.3 -29.21 65.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.981 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.0 m -88.23 11.51 16.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.371 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -68.92 1.5 10.28 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.27 -27.06 57.37 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.461 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 mtm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -65.93 170.59 5.3 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -139.29 -60.19 0.57 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -148.15 -26.0 0.34 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 68.7 118.37 0.03 OUTLIER 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.593 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -60.34 96.83 0.04 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.271 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -157.96 145.72 18.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.675 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.33 137.27 0.57 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -123.94 -14.86 7.04 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.792 0.329 . . . . 0.0 110.525 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -120.26 123.53 43.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.744 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.434 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 7.4 pt20 -124.58 120.8 32.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.538 HG23 ' CG2' ' A' ' 26' ' ' VAL . 39.1 pt -74.67 174.02 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -121.92 136.89 54.95 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.73 143.93 49.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.525 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.3 tptm -132.87 125.85 30.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.521 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 64.5 p -71.91 162.46 29.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.017 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -53.29 -47.17 69.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.306 179.604 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.4 p -63.66 -17.07 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.374 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.47 50.98 1.16 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.991 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 28.2 tptp -106.7 114.43 28.53 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -82.73 116.36 22.05 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.692 0.282 . . . . 0.0 110.975 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.8 mt -133.09 128.09 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.584 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 m -104.32 133.49 49.13 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.277 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.439 HD11 HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -132.47 136.65 46.85 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.967 0.413 . . . . 0.0 111.487 -179.594 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.521 ' H ' ' NZ ' ' A' ' 38' ' ' LYS . 1.7 mm-40 -80.58 98.19 7.53 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.493 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.538 ' CG2' HG23 ' A' ' 12' ' ' ILE . 31.8 m -122.15 154.12 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.97 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.694 ' O ' HD12 ' A' ' 65' ' ' LEU . 5.8 mt-10 -68.27 153.37 43.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.18 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.6 t -61.45 -19.15 61.67 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.725 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.665 ' HA ' ' H ' ' A' ' 66' ' ' SER . 6.1 t -118.25 4.65 11.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 160.46 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 111.258 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.496 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.9 p -101.45 162.56 12.81 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.361 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 28.7 mm -57.16 -49.1 80.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.643 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -46.71 -47.1 20.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.717 0.294 . . . . 0.0 110.535 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -63.74 -37.85 88.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.843 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 31' ' ' THR . 86.0 t -61.96 -44.11 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.224 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.43 -64.24 1.01 Allowed 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.952 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.419 ' N ' ' HB3' ' A' ' 47' ' ' PRO . 18.7 p -49.61 -50.62 42.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.461 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.521 ' NZ ' ' H ' ' A' ' 25' ' ' GLU . 17.6 tptp -51.1 -30.32 15.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.027 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.548 ' CG2' ' NE2' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -75.47 -40.13 41.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.309 179.468 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' GLY . 4.3 pt20 -56.95 -27.86 61.57 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.882 0.372 . . . . 0.0 110.177 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.68 -26.11 65.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -92.57 -39.49 11.32 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.08 -0.964 . . . . 0.0 112.326 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.459 ' C ' ' H ' ' A' ' 45' ' ' ILE . 10.0 mm-40 -117.28 3.86 12.6 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.45 -37.61 0.7 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.555 ' HB ' ' NE2' ' A' ' 50' ' ' GLN . 4.8 mm -46.5 122.14 6.7 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -50.33 139.17 36.96 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.872 2.381 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 37' ' ' SER . 2.4 Cg_endo -48.59 -41.16 37.67 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 123.379 2.719 . . . . 0.0 112.887 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -69.45 -14.73 63.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.971 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.57 -15.46 37.34 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.415 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.555 ' NE2' ' HB ' ' A' ' 45' ' ' ILE . 5.8 mt-30 -105.3 138.57 41.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.486 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.518 ' HE ' ' C ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -117.54 145.17 44.43 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.462 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.498 ' HB3' HD12 ' A' ' 59' ' ' LEU . 6.5 mp -119.55 123.07 43.06 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.592 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.509 HG21 HG13 ' A' ' 101' ' ' ILE . 3.7 mp -113.03 122.06 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.091 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.448 ' HB2' HD11 ' A' ' 59' ' ' LEU . 32.4 t-105 -126.94 127.16 44.42 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.855 0.36 . . . . 0.0 110.206 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 56.39 60.48 3.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.494 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.633 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 55.49 6.97 1.2 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.865 178.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -124.29 138.1 54.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.237 0.518 . . . . 0.0 111.109 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.77 122.77 23.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.968 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 52' ' ' LEU . 67.5 mt -69.06 126.75 30.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -85.18 141.59 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.343 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.465 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -50.19 -16.29 0.3 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.15 -178.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.84 -1.0 68.17 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.902 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -75.84 148.28 38.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.82 0.343 . . . . 0.0 111.0 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -110.96 167.88 9.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.1 mt -80.85 -46.18 15.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.473 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.665 ' H ' ' HA ' ' A' ' 29' ' ' SER . 23.0 t -68.76 -9.49 51.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.571 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -50.95 -61.78 2.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.958 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -103.72 -2.69 26.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.425 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.8 m120 68.21 45.03 1.31 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.259 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.478 ' CG2' HD22 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -53.23 -17.99 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.713 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 58.4 -159.83 0.27 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.62 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 5.5 ptm180 -101.51 -38.75 7.84 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.753 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.85 58.4 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 0.0 110.717 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.4 t -131.56 152.92 50.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.685 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.57 103.93 14.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.329 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.446 HD12 HD23 ' A' ' 52' ' ' LEU . 3.0 mm? -81.85 105.02 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.876 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.9 109.62 4.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.748 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 50' ' ' GLN . 6.8 tt -117.92 152.17 35.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.434 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.543 ' N ' HD23 ' A' ' 78' ' ' LEU . 18.5 m -130.15 133.66 63.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.8 mt -91.91 125.38 36.59 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.784 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.409 HH12 ' CD1' ' A' ' 97' ' ' ILE . 4.2 mtp85 -81.72 147.53 29.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.415 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.489 ' C ' ' H ' ' A' ' 84' ' ' GLY . 0.2 OUTLIER -127.29 117.47 22.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.107 179.526 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.409 ' N ' HD13 ' A' ' 82' ' ' LEU . 16.8 ptt180 -72.76 32.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.144 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 82' ' ' LEU . . . -156.41 -22.98 0.03 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 58.9 50.28 69.31 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.9 p -114.03 -0.69 13.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.635 0.255 . . . . 0.0 110.651 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -44.82 79.89 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.476 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 167.34 163.26 20.91 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -58.43 -25.85 58.5 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.86 -71.48 0.35 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.677 0.275 . . . . 0.0 110.534 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.55 136.82 40.74 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.237 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.12 -65.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.43 ' HA ' HD21 ' A' ' 96' ' ' LEU . 18.8 tt0 -166.5 -40.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.435 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -111.92 -47.06 3.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.454 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.83 -10.8 10.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.93 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.709 HD12 ' N ' ' A' ' 97' ' ' ILE . 0.8 OUTLIER -75.79 -9.66 58.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.507 179.558 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.709 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.0 mt -92.5 -58.45 3.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.597 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -58.48 -34.7 71.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.603 ' O ' HD23 ' A' ' 103' ' ' LEU . 2.3 pttp -80.23 -28.82 38.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.317 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -69.4 -19.99 63.81 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.633 HG23 ' HA2' ' A' ' 56' ' ' GLY . 21.2 mt -88.85 -33.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.093 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.4 OUTLIER -91.67 -12.36 34.35 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -177.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.872 HD12 ' N ' ' A' ' 104' ' ' SER . 3.0 pp -96.27 -68.55 0.79 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 119.261 -0.976 . . . . 0.0 113.055 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.872 ' N ' HD12 ' A' ' 103' ' ' LEU . 48.5 t -99.65 -10.9 21.42 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -177.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER -93.23 -38.06 11.74 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.045 -178.154 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -83.21 -16.9 44.72 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.053 -179.493 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.29 -28.43 68.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.482 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.6 t -78.56 -9.7 59.45 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.021 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.9 ttm105 -59.23 -39.47 82.83 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.653 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -58.48 -41.92 86.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.397 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.2 m -95.16 18.03 13.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.52 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.99 83.94 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.93 -8.14 40.22 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.673 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.87 -176.78 1.5 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.709 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -155.99 -47.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.166 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -89.55 -42.64 11.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.974 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 57.16 74.03 0.43 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.815 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -143.0 -15.43 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.366 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -68.17 -20.76 64.9 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.386 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.04 87.55 0.62 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -112.84 141.67 46.39 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -110.98 120.92 43.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.056 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -124.83 115.02 20.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.42 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.416 HD11 HD11 ' A' ' 24' ' ' LEU . 44.8 pt -75.15 174.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -122.89 132.22 54.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.868 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.66 134.06 55.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.805 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -130.6 117.06 18.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.014 0.435 . . . . 0.0 110.913 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.2 p -73.75 172.24 11.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.39 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 100' ' ' ALA . 13.2 tp -70.88 -9.85 58.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.3 p -84.71 -20.6 30.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.524 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.53 27.51 7.56 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 3.7 tmtm? -96.32 121.73 38.43 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -92.95 131.12 38.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 0.0 110.651 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 mp -132.74 129.25 58.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.525 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -106.62 120.6 42.39 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.287 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -126.71 140.69 52.2 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 -179.594 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -86.16 113.78 22.48 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.455 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 m -138.95 155.1 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.053 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.634 ' O ' HD12 ' A' ' 65' ' ' LEU . 4.7 mm-40 -68.68 161.23 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.212 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 18.2 t -64.43 -16.89 63.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.611 ' HA ' ' H ' ' A' ' 66' ' ' SER . 2.9 t -117.6 4.74 12.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.558 -178.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.48 157.0 0.07 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 111.002 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 64' ' ' THR . 13.2 p -106.66 164.71 11.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.975 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 38.1 mm -50.97 -53.2 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.889 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -42.34 -50.56 5.04 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.979 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -63.86 -36.86 85.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.519 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.12 -50.58 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.062 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -58.78 -61.32 2.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.229 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 40' ' ' GLN . 35.0 p -47.82 -47.62 31.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.457 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -52.1 -33.42 39.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.103 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 40' ' ' GLN . 0.3 OUTLIER -73.49 -47.58 44.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.115 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.504 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.28 -30.06 61.98 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -178.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.504 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 17.3 t70 -74.59 -27.56 60.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.186 0.517 . . . . 0.0 109.678 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -92.32 -41.54 10.31 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.228 -0.897 . . . . 0.0 112.364 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' OE1' HD13 ' A' ' 39' ' ' ILE . 7.6 mp0 -115.76 4.06 13.94 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' ILE . . . 78.66 -47.03 2.96 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.738 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.777 HG21 HD22 ' A' ' 80' ' ' LEU . 8.3 mm -31.57 129.15 0.3 Allowed Pre-proline 0 N--CA 1.468 0.439 0 C-N-CA 122.356 0.262 . . . . 0.0 111.292 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.2 Cg_exo -72.63 136.47 25.83 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.493 2.128 . . . . 0.0 112.201 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' A' ' 40' ' ' GLN . 2.7 Cg_endo -54.02 -42.06 70.03 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -62.58 -7.39 4.63 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.426 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -112.01 -5.68 14.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.8 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.412 ' HB3' HD21 ' A' ' 78' ' ' LEU . 8.5 mt-30 -96.89 131.98 43.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.666 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.62 ' HB3' HG23 ' A' ' 79' ' ' VAL . 3.6 tpt180 -112.69 139.37 48.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.502 HD22 ' C ' ' A' ' 51' ' ' ARG . 4.6 mm? -111.71 113.72 26.27 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.668 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.452 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.5 mp -115.17 124.15 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.529 ' HB3' HD11 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -142.11 135.9 29.54 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.131 0.491 . . . . 0.0 110.749 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.5 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 59.06 55.2 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.586 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.739 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 56.92 5.43 1.34 Allowed Glycine 0 CA--C 1.528 0.886 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.722 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -128.19 146.5 50.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.21 0.505 . . . . 0.0 111.278 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.96 123.23 26.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.893 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 54' ' ' TRP . 54.5 mt -72.77 135.74 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.104 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -90.89 137.24 32.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.717 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 13.1 t70 -45.69 -28.05 0.93 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.945 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.3 2.62 61.29 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.748 HH22 HD12 ' A' ' 70' ' ' ILE . 3.9 tmt_? -78.42 147.75 33.89 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 31' ' ' THR . 2.8 p -117.54 159.77 22.32 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.749 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.1 mt -68.93 -42.29 76.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.599 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.611 ' H ' ' HA ' ' A' ' 29' ' ' SER . 33.6 t -69.25 -10.78 59.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.161 -179.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -58.12 -61.03 2.85 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -86.57 -1.86 58.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.494 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 70.52 23.16 4.88 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.134 0.492 . . . . 0.0 109.841 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.748 HD12 HH22 ' A' ' 63' ' ' ARG . 4.9 mt -53.47 132.34 16.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.557 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.5 -146.98 0.15 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.977 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -100.15 -38.42 8.53 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.685 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -76.17 7.58 4.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.508 ' CB ' HG23 ' A' ' 70' ' ' ILE . 74.3 p -66.74 139.72 57.83 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.5 m -101.87 103.03 13.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.101 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.482 HD21 HD13 ' A' ' 70' ' ' ILE . 3.7 mm? -90.4 157.98 17.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.438 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.95 115.95 24.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.845 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.484 HD12 HD21 ' A' ' 52' ' ' LEU . 3.8 tt -113.95 89.85 3.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.62 HG23 ' HB3' ' A' ' 51' ' ' ARG . 25.8 m -79.56 133.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.777 HD22 HG21 ' A' ' 45' ' ' ILE . 57.4 mt -94.42 117.77 30.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.266 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -81.99 127.29 32.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.82 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -87.64 125.84 34.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.178 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.415 ' N ' HD13 ' A' ' 82' ' ' LEU . 7.6 ttm180 -81.33 32.06 0.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.13 -27.67 0.02 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.24 18.83 71.67 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.4 p -70.05 -11.24 60.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.773 0.32 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 66.1 mmm -65.19 -57.4 8.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.517 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 57.16 79.77 0.09 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.85 -137.67 2.32 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.49 -9.96 39.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -155.98 106.34 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.009 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -93.88 -55.0 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.298 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.677 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.1 tm-20 -178.88 -44.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.186 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.55 -47.26 3.66 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.793 0.33 . . . . 0.0 110.381 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -56.08 -24.95 43.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.001 -179.361 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.689 HD23 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -58.41 -17.1 17.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.689 ' N ' HD23 ' A' ' 96' ' ' LEU . 2.3 mt -96.24 -50.82 11.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 8.7 ptm180 -55.13 -43.42 74.14 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.729 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 103' ' ' LEU . 33.1 mtmm -68.33 -73.73 0.14 Allowed 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 120.56 -0.456 . . . . 0.0 109.975 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.596 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -33.96 -29.14 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.739 HG23 ' HA2' ' A' ' 56' ' ' GLY . 25.2 mt -76.06 -54.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.018 0.437 . . . . 0.0 110.344 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 8.1 tp10 -83.42 -10.21 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.087 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 99' ' ' LYS . 65.1 tp -92.76 -72.15 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.33 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.4 m -97.2 -19.65 18.46 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.5 HD11 ' H ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -93.72 -23.36 18.25 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.488 -179.516 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -45.42 -20.55 0.06 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.73 0.3 . . . . 0.0 111.37 -179.799 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -61.01 -25.05 66.63 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.629 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.7 t -70.91 -14.54 62.42 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.797 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -70.21 -2.04 12.01 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -67.68 -6.16 19.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.823 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.9 m -61.28 -18.48 58.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.789 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.84 -16.02 58.72 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.82 -50.96 61.1 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.69 179.932 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.98 -170.61 1.87 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.51 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -84.87 24.06 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -57.25 129.97 44.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -89.49 112.28 23.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.777 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -170.87 -40.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.291 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -83.86 99.45 10.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 156.65 41.32 0.02 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -160.84 -175.23 4.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -113.76 122.3 46.66 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.498 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -101.8 175.27 5.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 110.694 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.539 HD11 HD11 ' A' ' 24' ' ' LEU . 22.0 pt -144.78 168.66 9.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.043 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -112.3 117.64 33.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.215 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.15 131.08 55.99 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.9 ttpm? -124.87 117.14 23.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.119 0.485 . . . . 0.0 111.485 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 70.2 p -70.74 166.29 21.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.418 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.608 HD23 ' HB2' ' A' ' 91' ' ' ALA . 19.4 tp -64.59 -21.28 66.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.495 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p -74.35 -17.32 60.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.409 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.54 28.57 8.89 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 1.8 tmmm? -100.13 131.53 46.02 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 m -92.06 132.58 36.46 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.636 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.818 HD13 HD11 ' A' ' 39' ' ' ILE . 16.9 mt -133.5 129.56 56.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.986 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.7 m -106.46 126.58 52.43 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.155 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD11 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -133.02 141.81 48.47 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.217 -179.468 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.432 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 1.7 mp0 -81.56 112.4 18.75 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.605 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.92 -173.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.294 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.623 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.2 mp0 -107.31 161.21 15.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.845 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.2 m -64.7 -20.45 66.33 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.062 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.644 ' HA ' ' H ' ' A' ' 66' ' ' SER . 84.2 p -117.87 4.14 12.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.491 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.17 156.01 0.11 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.704 0.288 . . . . 0.0 110.659 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -98.19 160.28 14.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.537 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.416 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 23.8 mm -48.35 -50.82 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.795 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -43.28 15.95 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.737 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -66.63 -37.49 84.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.261 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.82 -49.9 77.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.077 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -57.65 -62.55 1.71 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.257 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 p -45.18 -48.83 12.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.505 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -36.3 33.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.182 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.818 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -68.6 -43.96 83.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.545 179.767 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.44 -29.3 58.38 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.487 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.35 -23.42 60.22 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -92.38 -42.61 9.69 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.236 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -120.83 5.98 10.45 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.77 -41.31 1.91 Allowed Glycine 0 CA--C 1.529 0.961 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.895 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.466 HG21 HD22 ' A' ' 80' ' ' LEU . 9.9 mm -35.51 123.99 0.63 Allowed Pre-proline 0 N--CA 1.468 0.446 0 N-CA-C 111.593 0.219 . . . . 0.0 111.593 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.3 Cg_exo -70.84 135.21 27.37 Favored 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 122.471 2.114 . . . . 0.0 111.908 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.75 -39.44 67.13 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 123.033 2.489 . . . . 0.0 112.504 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.2 -2.5 2.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 112.179 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -115.94 2.18 13.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.576 ' HB3' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -127.84 171.11 12.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.157 0.504 . . . . 0.0 111.338 -178.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.609 ' NE ' HD11 ' A' ' 97' ' ' ILE . 1.6 ptm85 -150.89 176.72 10.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.644 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.749 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -134.12 128.27 33.79 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.291 -179.48 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.564 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -113.95 128.36 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -137.59 131.49 31.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.157 0.504 . . . . 0.0 111.106 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.467 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 59.4 59.6 2.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.733 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.541 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 52.88 9.36 0.78 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-N 116.256 -0.429 . . . . 0.0 113.08 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -133.21 141.76 48.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.384 0.592 . . . . 0.0 110.957 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -70.21 128.79 37.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.902 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.749 HD12 ' HB3' ' A' ' 52' ' ' LEU . 53.6 mt -67.12 -148.13 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.922 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' H ' ' HB3' ' A' ' 59' ' ' LEU . 25.1 tt0 -174.4 140.4 0.64 Allowed 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.479 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 22.5 m-20 -48.48 -23.61 1.02 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.498 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.28 -0.3 89.46 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.741 -0.543 . . . . 0.0 111.741 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -86.81 146.13 26.35 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.4 p -114.85 162.66 16.6 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.12 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.5 mt -69.89 -36.08 75.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.644 ' H ' ' HA ' ' A' ' 29' ' ' SER . 84.3 p -78.55 -9.97 59.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.789 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -55.66 -61.84 2.08 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.052 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.0 3.65 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.231 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 m120 70.19 33.27 2.68 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.216 0.531 . . . . 0.0 109.924 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.78 107.3 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.326 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -72.42 157.33 37.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.509 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' A' ' 72' ' ' ARG . 1.8 ptt-85 -49.28 -42.97 42.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.285 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.37 62.89 6.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.654 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.7 m -122.56 151.43 41.41 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.8 m -98.26 97.65 9.02 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.644 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -84.97 155.76 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.801 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.49 ' O ' HD23 ' A' ' 52' ' ' LEU . 59.1 m-70 -120.43 108.08 13.68 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.514 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 16' ' ' THR . 3.8 tt -102.58 140.19 37.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.005 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.757 HG11 HD13 ' A' ' 96' ' ' LEU . 73.3 t -108.3 136.43 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.272 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.576 HD23 ' HB3' ' A' ' 50' ' ' GLN . 14.9 mt -119.33 117.47 28.64 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -72.45 140.36 48.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.148 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 147.02 23.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.622 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -115.51 -26.97 7.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.224 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 147.07 93.43 0.12 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.25 -56.3 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.8 p -133.5 55.82 1.88 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.035 0.445 . . . . 0.0 110.323 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -64.77 -32.83 74.69 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.744 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.46 101.72 0.66 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.46 -179.13 37.95 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.68 -53.87 41.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.814 0.34 . . . . 0.0 110.697 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.608 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -85.9 141.83 29.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.418 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.86 -43.31 1.23 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.172 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.565 ' O ' HD11 ' A' ' 96' ' ' LEU . 3.4 tt0 169.13 -51.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.757 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -102.06 -49.97 3.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.48 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.2 -39.89 73.16 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.188 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.827 HD12 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -40.67 -24.56 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.32 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.827 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.1 mt -77.51 -61.75 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.18 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.573 ' HA ' HD12 ' A' ' 101' ' ' ILE . 6.3 ptp180 -66.8 -25.57 66.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.291 0.567 . . . . 0.0 109.631 178.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 35.9 tptt -73.6 -40.77 63.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.638 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.416 ' HB2' HD22 ' A' ' 17' ' ' LEU . . . -72.88 -23.41 60.73 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.967 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 98' ' ' ARG . 38.9 mt -75.73 -36.2 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.646 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.64 -10.86 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.629 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 1.2 mm? -92.34 -72.85 0.57 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.966 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.0 m -98.73 -14.73 19.63 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -94.18 -34.32 12.96 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.993 -178.726 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -34.88 -35.77 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.184 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -45.18 -46.85 12.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.807 0.337 . . . . 0.0 110.444 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.1 t -54.87 -49.02 72.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.631 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -38.85 89.76 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.49 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -38.43 81.59 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.352 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.0 m -84.71 -14.5 48.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.474 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.82 20.28 16.18 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.31 -37.62 93.36 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.316 179.751 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 mtp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -135.34 97.33 3.67 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.685 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -91.46 132.14 36.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.069 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -162.18 136.71 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.624 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.6 t60 60.6 102.5 0.02 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.977 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -155.5 -14.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.348 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -130.62 145.49 51.91 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.448 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.18 123.2 1.19 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -143.69 -38.03 0.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.773 0.321 . . . . 0.0 110.363 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -156.18 121.79 4.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.869 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' A' ' 72' ' ' ARG . 0.5 OUTLIER -128.22 161.06 30.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.544 179.644 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.436 HD11 ' CD1' ' A' ' 24' ' ' LEU . 12.2 pt -145.15 164.56 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.804 0.335 . . . . 0.0 110.32 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -109.53 121.84 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.051 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.35 117.25 32.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.708 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.6 152.48 21.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.061 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 49.2 p -112.66 159.93 18.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.429 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -52.49 -47.17 66.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.835 179.58 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.5 p -61.52 -20.09 62.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.796 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.36 47.2 2.05 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.09 130.55 53.97 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 m -92.31 125.54 37.02 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.692 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.1 mt -132.73 133.85 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.623 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.493 ' C ' HD23 ' A' ' 24' ' ' LEU . 9.4 m -110.22 128.38 55.47 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.566 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.493 HD23 ' C ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -133.61 141.79 47.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.483 179.589 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.58 94.62 9.09 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.402 HG22 HG12 ' A' ' 12' ' ' ILE . 2.1 m -129.11 160.09 40.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.635 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.711 ' O ' HD12 ' A' ' 65' ' ' LEU . 22.5 mt-10 -73.25 150.43 42.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 29.5 m -66.17 -13.16 59.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.748 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.637 ' HA ' ' H ' ' A' ' 66' ' ' SER . 82.7 p -119.81 3.42 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.765 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.38 172.12 0.07 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.4 p -99.09 162.13 13.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.206 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.5 mm -57.37 -37.54 57.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.79 -47.09 64.36 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.141 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.66 -44.13 97.03 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.668 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -59.4 -45.93 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.527 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' C ' ' HB3' ' A' ' 47' ' ' PRO . 47.3 mttt -62.61 -59.21 5.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.074 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.8 p -48.47 -45.29 36.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.938 0.399 . . . . 0.0 110.071 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -30.06 64.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.848 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -65.84 -48.13 83.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.494 179.53 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.466 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -67.39 -18.46 65.13 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.275 -179.654 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.09 -38.07 53.07 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -88.28 -36.47 16.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.012 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 45' ' ' ILE . 7.9 mp0 -115.34 8.28 15.35 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 66.64 -51.26 0.21 Allowed Glycine 0 CA--C 1.53 0.991 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.955 178.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.668 HG21 HD21 ' A' ' 80' ' ' LEU . 83.7 mt -38.2 127.37 1.04 Allowed Pre-proline 0 CA--C 1.532 0.288 0 C-N-CA 122.351 0.26 . . . . 0.0 111.187 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.491 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 2.6 Cg_endo -44.6 142.47 4.73 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 123.056 2.504 . . . . 0.0 112.544 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 3.1 Cg_exo -69.72 -39.62 6.36 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.652 2.235 . . . . 0.0 111.925 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.23 -33.73 75.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.71 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -10.72 32.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.832 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.548 HE21 HG21 ' A' ' 45' ' ' ILE . 39.3 mt-30 -116.18 161.87 18.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.913 0.387 . . . . 0.0 110.699 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.672 ' HE ' ' HE ' ' A' ' 81' ' ' ARG . 4.9 mtt-85 -137.44 162.33 33.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.54 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.685 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -121.98 112.0 17.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.965 0.412 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.543 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.6 mp -114.92 123.77 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -151.18 138.95 19.78 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.937 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.686 ' H ' HD21 ' A' ' 105' ' ' LEU . . . 61.66 39.07 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.479 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.597 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 66.65 -4.0 3.3 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.313 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -112.3 125.39 54.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.907 0.384 . . . . 0.0 110.704 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -71.15 130.78 42.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.647 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 52' ' ' LEU . 19.0 mt -89.26 149.94 22.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.558 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -129.43 168.85 15.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -56.33 -32.68 64.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.55 -20.86 79.7 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -72.96 149.98 42.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.802 0.334 . . . . 0.0 110.585 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.35 162.36 16.16 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.606 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.711 HD12 ' O ' ' A' ' 27' ' ' GLU . 9.1 mt -72.4 -45.79 58.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.368 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.637 ' H ' ' HA ' ' A' ' 29' ' ' SER . 43.6 t -68.02 -10.19 51.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -57.44 -20.67 31.93 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.993 0.425 . . . . 0.0 110.376 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -126.16 1.89 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.4 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 76.67 37.66 0.3 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.707 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.63 HG23 ' CB ' ' A' ' 74' ' ' SER . 75.9 mt -77.46 95.32 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.167 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.38 -129.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.057 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -101.78 -47.08 4.72 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.372 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -77.76 48.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.749 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.63 ' CB ' HG23 ' A' ' 70' ' ' ILE . 5.8 m -110.0 139.2 45.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.769 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.4 m -94.64 100.16 12.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.413 HD22 HD12 ' A' ' 12' ' ' ILE . 4.2 mp -81.35 121.76 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.722 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.453 ' O ' HD23 ' A' ' 52' ' ' LEU . 13.0 m80 -91.13 111.87 23.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.029 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 79' ' ' VAL . 1.2 tt -115.64 148.26 39.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.231 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.468 ' N ' ' HG ' ' A' ' 78' ' ' LEU . 22.6 m -121.7 127.91 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.668 HD21 HG21 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -92.87 138.17 31.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.795 -179.584 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.672 ' HE ' ' HE ' ' A' ' 51' ' ' ARG . 10.9 mtt-85 -87.76 -157.33 0.4 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.389 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.516 HD23 ' H ' ' A' ' 84' ' ' GLY . 0.6 OUTLIER -126.67 105.16 8.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.364 -179.795 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.2 19.61 20.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.679 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.516 ' H ' HD23 ' A' ' 82' ' ' LEU . . . 94.65 -21.43 43.22 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.06 -53.91 39.02 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 77.3 p -158.0 150.21 22.14 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.405 ' HG3' ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -78.04 -28.69 49.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.007 -179.802 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.57 -2.11 32.83 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.405 ' H ' ' HG3' ' A' ' 87' ' ' MET . . . 75.02 -89.91 0.78 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.418 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -49.78 -70.66 0.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.755 0.312 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.81 151.93 37.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.773 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -154.55 37.36 0.42 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.197 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.405 ' HB2' ' H ' ' A' ' 82' ' ' LEU . 7.7 tt0 56.86 57.73 4.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.536 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.641 ' O ' HD23 ' A' ' 96' ' ' LEU . 1.1 mm-40 166.05 -87.46 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.256 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 97' ' ' ILE . 8.9 pt-20 -48.06 -31.33 5.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.991 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 94' ' ' GLU . 0.8 OUTLIER -39.99 -24.4 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.265 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.472 ' N ' HD23 ' A' ' 96' ' ' LEU . 2.5 mt -87.62 -63.64 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.762 0.315 . . . . 0.0 110.818 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.537 ' HA ' HD12 ' A' ' 101' ' ' ILE . 10.3 ptm180 -63.19 -32.55 73.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.453 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 6.5 ptmm? -75.43 -28.41 59.34 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.493 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -74.06 -25.24 59.72 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 98' ' ' ARG . 18.4 mt -79.41 -31.74 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 3.1 tt0 -90.98 -10.09 43.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.44 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -94.32 -73.31 0.58 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.321 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.8 p -98.99 -9.38 24.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.686 HD21 ' H ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -92.66 -47.46 7.08 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.973 -178.21 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -62.51 -23.99 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.762 -179.447 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -60.39 -34.8 74.44 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.052 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.7 t -74.68 -40.89 61.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.368 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.434 ' C ' HH11 ' A' ' 109' ' ' ARG . 0.0 OUTLIER -68.68 -38.45 80.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -55.56 -50.3 70.41 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.279 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.8 p -78.45 -14.78 59.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.227 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -66.42 -27.71 73.26 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.63 -51.76 31.79 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.108 179.49 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 mtp . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -70.02 164.41 24.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.644 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.72 154.58 42.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.584 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -167.46 72.66 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.229 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 59.21 177.71 0.08 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.808 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -168.08 138.45 2.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -88.42 46.43 1.38 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.388 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.42 -114.29 3.85 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' CG ' ' H ' ' A' ' 10' ' ' PHE . 1.3 pt-20 -173.38 -101.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.417 ' HB2' ' CB ' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -158.38 165.98 33.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.274 0.559 . . . . 0.0 110.95 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.551 ' HB3' HG22 ' A' ' 23' ' ' THR . 20.4 mt-30 -61.65 114.02 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.663 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.46 HG12 HG22 ' A' ' 26' ' ' VAL . 28.6 pt -73.8 179.0 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.692 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -119.2 128.66 54.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.732 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.29 132.01 56.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.721 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 5.9 ttpt -122.58 118.1 27.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.91 0.386 . . . . 0.0 111.023 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 41.0 p -68.29 169.0 11.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.496 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 100' ' ' ALA . 27.3 tp -66.14 -22.62 66.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.471 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -79.69 -20.44 46.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.701 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.15 42.75 2.34 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 19.3 tptm -102.94 124.97 49.44 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.2 121.3 27.75 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.4 mt -132.45 130.92 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.772 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.551 HG22 ' HB3' ' A' ' 11' ' ' GLN . 25.2 m -106.72 128.46 54.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.316 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -132.38 140.12 48.37 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.656 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -83.15 104.35 13.27 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.46 HG22 HG12 ' A' ' 12' ' ' ILE . 20.6 m -131.62 149.66 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.229 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.685 ' O ' HD12 ' A' ' 65' ' ' LEU . 4.4 mt-10 -71.56 163.34 27.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.083 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.5 p -68.33 -21.74 64.73 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.767 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.612 ' HA ' ' H ' ' A' ' 66' ' ' SER . 26.8 t -114.73 4.15 14.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.421 -178.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.53 160.04 0.19 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.0 p -97.73 157.38 16.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 mm -53.18 -48.08 54.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.158 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -50.96 -45.4 60.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.281 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -64.03 -42.99 96.89 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.748 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -58.83 -46.53 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.604 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 39' ' ' ILE . 5.2 mtmp? -63.54 -60.36 3.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.358 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.1 p -46.9 -49.74 19.92 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.88 0.372 . . . . 0.0 110.155 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.28 -37.52 36.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.86 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -66.15 -40.27 86.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.551 179.635 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.419 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -61.63 -27.75 68.89 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.758 0.313 . . . . 0.0 110.874 -179.719 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.7 -25.83 49.69 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.8 -45.21 10.51 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 114.515 -1.22 . . . . 0.0 111.822 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -123.02 10.56 9.45 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 76.48 -43.36 1.82 Allowed Glycine 0 CA--C 1.526 0.777 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.71 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.726 HG21 HD22 ' A' ' 80' ' ' LEU . 8.5 mm -35.03 118.48 0.58 Allowed Pre-proline 0 N--CA 1.466 0.347 0 CA-C-O 120.518 0.199 . . . . 0.0 111.3 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -69.4 138.82 39.93 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.421 2.081 . . . . 0.0 112.089 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -49.76 -36.17 41.25 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.971 2.448 . . . . 0.0 112.128 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.66 -37.83 82.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.372 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -73.53 -10.41 59.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.332 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.432 HE22 ' HB ' ' A' ' 45' ' ' ILE . 1.3 pt20 -128.63 176.09 8.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.242 0.544 . . . . 0.0 111.717 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.519 HH12 HH21 ' A' ' 81' ' ' ARG . 0.0 OUTLIER -155.04 173.38 16.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.61 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' A' ' 59' ' ' LEU . 3.3 mm? -118.7 115.43 24.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.674 0.273 . . . . 0.0 111.099 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.525 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.8 mp -109.98 116.01 51.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.638 ' HB3' HD11 ' A' ' 59' ' ' LEU . 47.8 t-105 -134.54 135.77 42.57 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.902 0.382 . . . . 0.0 111.235 -179.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.483 ' N ' HD12 ' A' ' 105' ' ' LEU . . . 59.37 53.35 5.29 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.333 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.452 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 54.9 7.82 1.17 Allowed Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.425 -0.352 . . . . 0.0 112.43 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -124.61 132.2 53.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -72.14 129.34 38.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.935 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' A' ' 52' ' ' LEU . 46.6 mt -86.44 149.44 25.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.73 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.7 148.88 25.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.769 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -51.7 -18.42 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.571 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.27 -7.31 67.71 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.057 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 154.67 41.65 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 117.009 0.405 . . . . 0.0 110.428 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.0 p -116.18 165.57 13.0 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 27' ' ' GLU . 6.9 mt -81.36 -39.51 24.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.383 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.612 ' H ' ' HA ' ' A' ' 29' ' ' SER . 66.4 p -73.19 -10.52 59.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.267 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -55.15 -62.01 1.95 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.77 3.52 47.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.412 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.54 29.29 2.67 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.254 0.55 . . . . 0.0 109.957 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.7 mt -55.17 108.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.244 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -76.85 -156.24 0.07 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.015 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.446 ' HG2' ' H ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -88.66 -44.83 10.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.682 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' H ' ' HG2' ' A' ' 72' ' ' ARG . 28.8 mm-40 -79.08 49.3 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 0.0 110.017 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.8 p -106.11 134.2 49.61 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.877 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.7 m -90.07 94.97 10.0 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.743 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.59 139.61 30.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.524 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.44 115.48 30.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.573 HD12 HD21 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -103.38 133.56 48.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.553 -179.375 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.447 HG13 HD12 ' A' ' 96' ' ' LEU . 2.5 t -99.74 132.69 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.133 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.726 HD22 HG21 ' A' ' 45' ' ' ILE . 92.5 mt -117.55 129.96 56.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.519 HH21 HH12 ' A' ' 51' ' ' ARG . 3.9 ttm180 -73.55 125.47 28.04 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.312 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.549 ' N ' ' HG2' ' A' ' 93' ' ' GLU . 0.7 OUTLIER -73.13 71.61 1.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.135 0.493 . . . . 0.0 110.704 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -79.26 -12.99 59.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.508 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.93 164.78 54.89 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.0 -19.26 77.73 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 p -76.66 83.2 3.3 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.867 0.365 . . . . 0.0 110.537 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 32.0 mtt -69.31 -11.2 60.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.63 88.97 0.22 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 174.42 169.56 36.62 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.7 -51.74 65.99 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.764 0.316 . . . . 0.0 110.685 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.24 135.8 42.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.299 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -148.25 37.4 0.85 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.698 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.549 ' HG2' ' N ' ' A' ' 82' ' ' LEU . 3.8 mt-10 54.41 57.58 5.69 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.411 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.824 ' H ' HD22 ' A' ' 96' ' ' LEU . 3.7 tm-20 168.84 -85.35 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 97' ' ' ILE . 6.8 pt-20 -53.16 -35.82 60.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.198 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.824 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.3 pt? -33.84 -28.08 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.648 ' H ' HD23 ' A' ' 96' ' ' LEU . 3.1 mt -95.42 -48.9 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.424 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.549 ' CG ' ' N ' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -53.66 -49.9 66.94 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -179.369 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.549 ' N ' ' CG ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -65.78 -70.54 0.23 Allowed 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.782 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -33.87 -38.65 0.06 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.472 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 22.3 mt -66.27 -47.74 83.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 120.927 0.394 . . . . 0.0 110.391 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -87.45 -10.41 51.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.072 -179.274 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 99' ' ' LYS . 17.6 mt -90.21 -73.32 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.2 t -100.57 -10.4 21.04 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -90.96 -40.25 11.79 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.719 -178.078 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -21.61 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.846 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -20.48 60.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.607 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.9 t -59.23 -34.49 72.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.275 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -66.47 -37.43 85.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.287 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -65.63 -29.93 70.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.419 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.8 t -68.52 -23.08 64.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.502 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.09 7.02 54.76 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.8 -20.53 62.11 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.618 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tmm? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -159.27 -26.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.497 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.58 62.82 3.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.62 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -76.99 48.89 0.62 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.497 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -78.22 102.47 7.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.53 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.0 -29.05 0.23 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.98 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -94.74 135.7 35.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.66 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.71 156.56 9.7 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.43 -96.94 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -120.36 122.57 41.07 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.136 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -117.7 113.74 22.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.279 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.407 HG12 HG22 ' A' ' 26' ' ' VAL . 40.1 pt -74.38 176.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.0 134.87 53.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.866 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.34 135.45 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.343 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.7 ttpt -132.14 122.36 25.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.046 0.45 . . . . 0.0 110.98 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.4 p -78.77 175.4 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.765 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -57.19 -48.36 78.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.601 179.179 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.452 ' H ' HG23 ' A' ' 18' ' ' THR . 6.8 p -62.12 -17.91 59.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.711 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.27 43.63 3.43 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 10.7 tptp -90.58 111.21 22.43 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -81.45 118.55 22.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.635 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -131.34 128.06 60.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.387 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 m -105.62 128.07 53.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.44 137.34 47.23 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -82.36 103.9 12.26 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.778 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG22 HG12 ' A' ' 12' ' ' ILE . 22.2 m -130.52 172.71 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.447 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.731 ' O ' HD12 ' A' ' 65' ' ' LEU . 23.3 mt-10 -87.0 153.68 21.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.933 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -64.31 -17.0 63.25 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.539 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.591 ' HA ' ' H ' ' A' ' 66' ' ' SER . 3.8 m -118.66 3.92 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.075 -178.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.89 162.87 0.07 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 110.621 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.3 p -96.77 158.96 15.18 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.462 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 mm -55.91 -46.67 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.424 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -48.06 -43.73 30.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.697 0.284 . . . . 0.0 110.661 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -37.86 88.5 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.77 -44.11 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.54 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -63.09 -64.28 0.96 Allowed 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.287 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.3 p -45.34 -53.27 8.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.888 0.375 . . . . 0.0 110.556 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.39 -35.54 19.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.338 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.457 HG21 ' NE2' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -64.57 -44.53 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -62.06 -27.22 68.75 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-O 120.647 0.26 . . . . 0.0 111.286 -179.467 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 14.0 t70 -73.29 -31.42 64.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -91.91 -35.9 13.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.221 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -117.22 3.67 12.63 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.41 ' CA ' ' O ' ' A' ' 40' ' ' GLN . . . 74.29 -45.78 1.51 Allowed Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.437 ' H ' HG12 ' A' ' 45' ' ' ILE . 5.0 mm -41.04 117.07 1.48 Allowed Pre-proline 0 CA--C 1.531 0.248 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.08 143.75 17.62 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.603 2.202 . . . . 0.0 112.237 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -54.2 -40.93 80.0 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.671 2.247 . . . . 0.0 112.026 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.27 -36.03 82.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.176 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -17.98 64.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.272 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.457 ' NE2' HG21 ' A' ' 39' ' ' ILE . 1.5 mt-30 -109.39 152.43 25.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.1 0.476 . . . . 0.0 111.396 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.33 159.21 42.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.149 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 53' ' ' ILE . 5.2 mp -118.81 121.17 39.42 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.299 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.596 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -117.63 124.85 73.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.449 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.525 ' HB3' HD11 ' A' ' 59' ' ' LEU . 66.8 t90 -150.24 143.14 24.78 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.1 0.476 . . . . 0.0 111.465 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 64.12 53.4 1.82 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.99 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.595 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 57.09 5.8 1.62 Allowed Glycine 0 CA--C 1.528 0.845 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.618 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -136.45 156.84 48.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.125 0.463 . . . . 0.0 111.048 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.446 ' OE1' HD11 ' A' ' 53' ' ' ILE . 22.9 tt0 -84.04 127.57 33.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.297 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 54' ' ' TRP . 31.5 mt -72.32 129.67 38.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.506 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -81.08 133.02 35.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.652 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -51.75 -27.53 12.34 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.585 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.3 -3.45 85.7 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -78.78 157.63 28.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.811 0.338 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.4 p -114.65 170.13 8.55 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.5 mt -74.84 -41.03 60.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.789 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.591 ' H ' ' HA ' ' A' ' 29' ' ' SER . 17.4 p -69.14 -10.13 56.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.659 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.77 -28.54 49.54 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.132 0.491 . . . . 0.0 109.959 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -126.24 -2.48 6.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.572 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 75.82 33.98 0.59 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.277 0.561 . . . . 0.0 109.76 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.9 mt -62.53 122.41 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.631 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -105.01 169.57 8.36 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -49.62 -42.77 45.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -78.79 46.83 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.231 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -124.07 149.6 45.96 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 m -105.02 104.34 14.06 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mp -82.67 132.88 35.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.766 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -94.33 106.04 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.456 HD21 ' NE2' ' A' ' 50' ' ' GLN . 7.6 tt -107.48 143.79 35.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.467 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.488 HG11 HD13 ' A' ' 96' ' ' LEU . 46.3 t -111.57 131.29 63.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.9 130.91 50.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -71.82 174.13 7.31 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.877 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.42 HD11 ' H ' ' A' ' 87' ' ' MET . 5.8 tp -99.87 109.47 21.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.183 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -57.9 -27.73 63.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.57 42.51 0.95 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.43 19.64 7.56 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.6 t 56.25 85.38 0.07 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.918 0.39 . . . . 0.0 110.727 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.42 ' H ' HD11 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -58.36 -51.09 71.27 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.414 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.02 -36.2 0.66 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.9 -20.76 0.88 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.44 -71.86 0.19 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.682 0.277 . . . . 0.0 110.375 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.47 130.99 47.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.215 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -149.78 39.89 0.8 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.637 ' HA ' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER 48.73 74.34 0.18 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.761 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.525 ' H ' ' CD1' ' A' ' 96' ' ' LEU . 15.8 tt0 149.76 -76.29 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.301 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -64.94 -9.99 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.217 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.637 HD21 ' HA ' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -74.02 -10.76 59.97 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.952 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.599 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.5 mt -92.19 -52.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.3 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -64.82 -33.65 76.49 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 0.2 OUTLIER -74.56 -29.3 61.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.646 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.06 -33.39 50.92 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.595 HG23 ' HA2' ' A' ' 56' ' ' GLY . 7.5 mt -64.96 -37.78 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.601 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 2.8 tp10 -92.64 -10.2 38.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.142 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.5 OUTLIER -88.38 -74.4 0.46 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.117 -178.624 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.5 m -100.34 -11.35 20.37 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.543 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 5.3 mp -91.0 -40.74 11.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.704 -178.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -34.89 -29.48 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -178.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 105' ' ' LEU . 37.0 tt0 -50.3 -35.13 26.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.755 0.312 . . . . 0.0 110.612 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.7 t -69.84 -31.23 68.97 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.7 ttt-85 -61.89 -17.75 57.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.624 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -52.91 -42.54 65.47 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.538 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.3 p -80.52 -38.67 29.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.503 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.93 22.14 19.76 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.94 -66.81 2.25 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.002 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -68.97 123.42 20.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -66.44 -55.91 13.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.552 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 m80 60.03 -177.65 0.1 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -159.04 170.47 21.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.689 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -114.37 179.71 3.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.303 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -97.59 83.69 3.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.37 -171.02 51.86 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.471 -0.651 . . . . 0.0 111.471 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -147.37 -124.16 0.06 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -124.35 122.97 39.17 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.786 0.327 . . . . 0.0 110.202 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 25' ' ' GLU . 12.4 pt20 -123.03 120.58 33.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.437 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.543 ' CD1' HD22 ' A' ' 76' ' ' LEU . 31.8 pt -83.5 -171.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.679 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -124.22 133.55 53.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.303 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.47 140.89 52.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.102 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.2 ttpp -128.05 117.92 22.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.501 HG22 HD22 ' A' ' 78' ' ' LEU . 71.1 p -66.18 170.27 6.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.614 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.868 HD11 ' HZ1' ' A' ' 99' ' ' LYS . 3.1 tm? -57.7 -46.3 84.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.919 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -61.92 -21.06 64.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.65 42.45 2.49 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 10.0 ttmt -98.97 125.06 44.34 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.28 125.13 32.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.468 HD13 HD11 ' A' ' 39' ' ' ILE . 1.6 mt -133.19 129.51 57.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.278 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.684 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.7 m -107.4 125.78 51.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.538 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.883 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -132.71 141.96 48.82 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -78.46 106.43 10.4 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.565 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.66 148.34 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.5 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.706 ' O ' HD12 ' A' ' 65' ' ' LEU . 5.0 mm-40 -70.11 158.76 35.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.873 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 20.9 t -66.61 -17.48 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.257 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.605 ' HA ' ' H ' ' A' ' 66' ' ' SER . 59.6 p -117.71 4.17 12.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.209 -178.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -47.41 159.64 0.13 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.765 0.317 . . . . 0.0 110.518 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.8 p -94.65 158.49 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.242 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.0 mm -55.02 -46.56 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.425 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -44.96 -46.21 10.94 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.659 0.266 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -63.44 -36.81 84.97 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.858 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.88 -44.72 96.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.693 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -65.68 -64.11 0.94 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.448 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -49.64 -53.1 26.15 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.776 0.322 . . . . 0.0 110.368 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -35.16 22.0 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.468 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -64.22 -43.35 97.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.183 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.9 pt20 -59.33 -26.65 65.21 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-O 120.861 0.363 . . . . 0.0 110.501 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.59 -29.42 63.5 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -89.73 -38.94 13.48 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.294 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 45' ' ' ILE . 21.3 mt-10 -122.93 8.6 9.33 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.19 -38.07 0.67 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.575 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.518 ' CD1' HD21 ' A' ' 80' ' ' LEU . 18.2 mt -42.72 114.59 1.52 Allowed Pre-proline 0 CA--C 1.532 0.267 0 CA-C-O 120.578 0.228 . . . . 0.0 111.578 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 2.4 Cg_endo -50.12 143.57 24.88 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.898 2.399 . . . . 0.0 112.123 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -52.36 -29.54 39.38 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.596 2.197 . . . . 0.0 112.061 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.1 -45.42 34.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.374 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -23.63 54.82 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.141 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.475 ' OE1' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -109.17 157.33 18.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.853 0.358 . . . . 0.0 110.641 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.455 ' NH2' HH12 ' A' ' 81' ' ' ARG . 0.1 OUTLIER -131.86 165.16 24.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.812 179.729 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.677 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -124.55 112.23 16.6 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.72 0.295 . . . . 0.0 110.478 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.587 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.8 mp -112.49 126.01 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.466 ' HB3' HD21 ' A' ' 59' ' ' LEU . 26.5 t-105 -136.2 131.12 34.18 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.917 0.389 . . . . 0.0 111.219 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.62 61.69 1.66 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.174 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.544 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 51.4 9.91 0.48 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.949 178.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.66 142.07 46.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.137 0.468 . . . . 0.0 110.944 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 129.57 38.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.977 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.677 HD12 ' HB3' ' A' ' 52' ' ' LEU . 63.8 mt -66.61 -142.76 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.813 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 178.23 144.95 0.12 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.929 0.395 . . . . 0.0 111.046 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -49.03 -42.28 37.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.179 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.11 -7.19 66.37 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.26 152.42 24.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.5 p -114.57 169.08 9.32 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.636 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.2 mt -72.42 -41.54 66.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.695 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.605 ' H ' ' HA ' ' A' ' 29' ' ' SER . 29.6 t -66.66 -9.77 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.693 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.48 -23.39 62.71 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.055 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -125.68 -6.49 6.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.207 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 m120 74.94 43.51 0.22 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.354 0.597 . . . . 0.0 109.444 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.1 mm -66.42 117.6 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.668 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -95.39 167.42 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.404 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.422 ' HG2' ' H ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -53.68 -44.53 69.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.143 179.838 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.8 50.25 1.78 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.828 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 t -117.86 147.76 42.77 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.772 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 m -105.53 101.27 10.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.205 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 12' ' ' ILE . 1.7 mp -85.07 120.79 26.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.055 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -78.52 106.99 10.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.501 HD22 HG22 ' A' ' 16' ' ' THR . 9.0 tt -98.97 132.98 43.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.706 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.447 ' HB ' HD13 ' A' ' 53' ' ' ILE . 2.2 t -96.17 125.84 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.87 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.518 HD21 ' CD1' ' A' ' 45' ' ' ILE . 1.8 tp -112.18 116.66 30.82 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.455 HH12 ' NH2' ' A' ' 51' ' ' ARG . 1.2 ptm180 -75.93 161.35 29.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.369 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.96 124.66 28.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.01 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.06 -7.7 22.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.324 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.93 77.39 1.1 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.3 108.97 0.23 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.8 t 56.0 80.04 0.15 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.5 ttp -70.78 -45.77 64.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.25 -82.77 0.88 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.94 -21.16 0.13 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.92 -72.03 0.15 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.67 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -99.72 150.37 22.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.252 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -150.88 40.57 0.73 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.804 0.335 . . . . 0.0 110.802 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 94' ' ' GLU . 0.5 OUTLIER 50.96 70.15 0.56 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.926 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.867 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.5 tm-20 165.31 -83.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 96' ' ' LEU . 1.3 pm0 -56.53 -34.18 66.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.282 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.867 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.3 pt? -34.64 -31.42 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -178.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.689 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.4 mt -74.01 -59.86 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.837 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.454 ' N ' HG22 ' A' ' 97' ' ' ILE . 9.7 ptp180 -65.48 -28.82 69.48 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.868 ' HZ1' HD11 ' A' ' 17' ' ' LEU . 14.5 ttpp -70.63 -38.25 73.88 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.011 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.4 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -73.01 -18.15 61.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.634 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.544 HG23 ' HA2' ' A' ' 56' ' ' GLY . 29.8 mt -89.54 -33.46 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.064 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -91.22 -11.79 37.21 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.81 HD12 ' N ' ' A' ' 104' ' ' SER . 3.2 pp -95.6 -67.72 0.84 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 119.404 -0.918 . . . . 0.0 112.75 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.81 ' N ' HD12 ' A' ' 103' ' ' LEU . 5.4 m -98.79 -15.65 19.2 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.501 HD12 ' H ' ' A' ' 56' ' ' GLY . 0.5 OUTLIER -93.57 -35.02 13.11 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.583 -178.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -33.89 -35.36 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.077 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 105' ' ' LEU . 12.5 tp10 -45.45 -44.54 12.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.731 0.3 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.1 p -60.52 -45.74 92.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.622 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -60.29 -45.71 92.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.311 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -63.64 -38.81 92.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.319 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 55.3 m -67.03 -25.5 66.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.365 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -77.31 -8.0 86.97 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.84 88.72 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.274 179.915 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 66.56 -74.42 0.06 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.726 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -74.8 117.94 17.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.44 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -68.64 -39.05 80.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.691 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -66.66 116.42 7.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.293 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -84.67 145.22 28.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.467 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -74.97 165.48 25.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.6 -34.07 0.02 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -157.86 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.66 0.267 . . . . 0.0 110.369 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.97 122.6 40.5 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -116.71 113.43 22.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.293 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.578 HG22 ' O ' ' A' ' 71' ' ' GLN . 33.8 pt -68.14 165.62 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.481 -179.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.75 ' CE2' HG23 ' A' ' 75' ' ' THR . 1.0 OUTLIER -106.35 118.49 36.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.797 178.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.462 ' CB ' HD21 ' A' ' 24' ' ' LEU . . . -109.71 120.17 41.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.658 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.561 ' HG3' ' N ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -105.15 155.1 19.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.994 179.324 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.561 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 73.1 p -112.61 167.24 10.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.141 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.74 HD21 HD21 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -55.24 -48.97 73.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.972 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.3 p -61.12 -19.93 62.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.03 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.39 35.78 4.85 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.821 -0.512 . . . . 0.0 111.821 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.74 140.32 29.7 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.724 HG23 ' CE1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -97.05 121.63 39.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 110.984 -179.569 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.1 mt -133.56 133.85 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.495 ' C ' HD23 ' A' ' 24' ' ' LEU . 84.6 m -112.9 133.56 54.82 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.828 0.347 . . . . 0.0 111.158 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.495 HD23 ' C ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -133.33 138.4 46.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.589 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.37 105.2 14.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.779 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.444 HG22 HG12 ' A' ' 12' ' ' ILE . 10.4 m -137.33 165.16 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.159 0.504 . . . . 0.0 111.736 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.579 ' O ' HD12 ' A' ' 65' ' ' LEU . 20.5 mt-10 -78.53 158.83 28.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.835 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.6 p -68.6 -17.16 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.099 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.629 ' HA ' ' H ' ' A' ' 66' ' ' SER . 1.1 m -116.81 3.66 12.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.434 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.33 163.32 0.17 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.635 0.255 . . . . 0.0 110.541 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.5 p -97.16 160.57 14.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.152 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 mm -52.24 -43.19 38.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -48.08 -45.32 32.39 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.373 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -64.04 -38.98 93.04 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.735 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.04 -48.24 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.708 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -61.25 -59.36 5.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.072 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.5 p -47.29 -47.18 25.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.216 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -52.02 -38.18 55.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.057 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.424 HG21 ' CD ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -64.38 -44.13 97.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.536 179.56 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.419 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.3 pt20 -60.93 -29.85 69.86 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.592 0.234 . . . . 0.0 111.388 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.78 -25.96 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -92.22 -40.24 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.93 -178.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -122.37 7.5 9.61 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 73.87 -40.43 0.99 Allowed Glycine 0 CA--C 1.531 1.034 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.09 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.8 mt -37.78 124.34 0.98 Allowed Pre-proline 0 N--CA 1.467 0.377 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -54.82 132.45 51.99 Favored 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.685 2.257 . . . . 0.0 111.494 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -48.92 -43.95 33.75 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 122.846 2.364 . . . . 0.0 112.617 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -63.62 -28.4 69.89 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.999 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -69.7 -12.29 61.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.078 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.424 ' CD ' HG21 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -111.15 157.5 19.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.165 0.507 . . . . 0.0 111.581 -179.307 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.1 161.81 33.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.27 -0.877 . . . . 0.0 108.744 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.592 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -121.94 111.2 16.78 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.768 -179.67 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.592 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.8 mp -112.55 121.51 65.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.609 ' HB3' HD11 ' A' ' 59' ' ' LEU . 18.6 t90 -136.55 136.2 39.11 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.942 0.401 . . . . 0.0 110.777 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.419 ' N ' HD12 ' A' ' 105' ' ' LEU . . . 55.59 55.92 6.75 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.304 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.664 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 55.38 5.54 0.78 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.505 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -121.42 135.56 55.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 117.069 0.435 . . . . 0.0 110.911 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -77.99 127.0 31.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.058 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.609 HD11 ' HB3' ' A' ' 54' ' ' TRP . 38.7 mt -83.38 146.57 28.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.712 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -101.03 148.1 25.43 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.458 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.15 -30.62 11.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.63 -5.76 69.5 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.22 155.68 28.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.8 0.333 . . . . 0.0 110.728 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -114.06 176.44 5.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.713 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 27' ' ' GLU . 9.8 mt -85.01 -39.53 17.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.689 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.629 ' H ' ' HA ' ' A' ' 29' ' ' SER . 46.0 t -69.53 -9.82 55.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.001 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.99 -61.91 1.87 Allowed 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -93.09 2.13 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.394 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 78.23 52.09 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.168 0.509 . . . . 0.0 110.273 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.655 HG23 ' CB ' ' A' ' 74' ' ' SER . 27.4 mt -82.65 122.6 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.501 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.578 ' O ' HG22 ' A' ' 12' ' ' ILE . 14.9 mp0 -102.98 -125.98 0.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.442 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -102.06 -41.41 6.44 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.818 0.342 . . . . 0.0 110.731 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -82.43 36.54 0.48 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.655 ' CB ' HG23 ' A' ' 70' ' ' ILE . 78.6 p -95.52 125.96 40.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.364 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.75 HG23 ' CE2' ' A' ' 13' ' ' PHE . 24.8 m -88.29 93.81 9.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 0.0 110.265 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.531 HD22 HD12 ' A' ' 12' ' ' ILE . 2.6 mp -84.79 155.8 21.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.683 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.553 ' O ' HD13 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -121.28 111.02 16.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.613 179.247 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.554 HD12 ' CD2' ' A' ' 52' ' ' LEU . 1.1 tp -99.91 130.24 46.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.289 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.764 HG11 HD13 ' A' ' 96' ' ' LEU . 42.8 t -104.64 126.86 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.292 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.9 mt -99.23 114.3 27.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.66 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.437 ' HA ' HD21 ' A' ' 96' ' ' LEU . 18.3 ptt85 -77.19 154.87 32.68 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.643 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -95.89 135.14 38.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.568 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.74 -28.02 16.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.686 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.33 -157.22 27.92 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.18 -119.87 19.64 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.9 t -75.6 147.94 39.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.7 0.286 . . . . 0.0 110.451 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -7.8 59.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.648 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.77 -72.79 2.18 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.98 -113.84 0.48 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.67 -44.89 95.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.791 0.329 . . . . 0.0 110.255 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.44 ' N ' ' HZ2' ' A' ' 99' ' ' LYS . . . -72.99 138.32 45.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.286 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.456 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 10.6 m-20 -147.96 43.52 1.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.597 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.697 ' O ' HD11 ' A' ' 96' ' ' LEU . 6.3 tt0 73.11 -57.68 0.63 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.802 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -91.45 -58.01 2.58 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.393 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 97' ' ' ILE . 2.8 mm-40 -50.57 -50.22 54.2 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.521 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.918 HD12 ' N ' ' A' ' 97' ' ' ILE . 0.8 OUTLIER -35.12 -22.66 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.042 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.918 ' N ' HD12 ' A' ' 96' ' ' LEU . 1.9 mt -84.75 -53.86 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.015 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 7.6 ptm180 -60.89 -41.7 96.55 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.619 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.597 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -76.4 -26.59 55.74 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.063 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -70.41 -25.24 63.13 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.664 HG23 ' HA2' ' A' ' 56' ' ' GLY . 31.0 mt -83.59 -30.82 8.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.996 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.71 -12.42 31.45 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.877 HD12 ' N ' ' A' ' 104' ' ' SER . 2.9 pp -96.28 -69.93 0.74 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 119.161 -1.015 . . . . 0.0 113.249 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.877 ' N ' HD12 ' A' ' 103' ' ' LEU . 32.0 t -99.99 -10.61 21.42 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.637 HD12 ' H ' ' A' ' 56' ' ' GLY . 3.6 mm? -93.35 -41.88 9.6 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -177.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.444 ' C ' ' CD ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -53.96 -24.86 18.01 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.993 -179.368 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -61.31 -23.92 66.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.5 p -48.55 -42.63 34.03 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -74.46 -37.62 63.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.581 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -80.0 3.96 18.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.998 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.3 m -73.63 -25.58 60.37 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.66 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.59 -18.88 57.26 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.04 -6.91 55.33 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.774 -1.108 . . . . 0.0 110.798 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.816 0.341 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.424 HG12 HG22 ' A' ' 26' ' ' VAL . 12.6 pt -142.95 169.03 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.143 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -123.56 132.16 53.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.042 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.37 137.8 54.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.828 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.43 116.55 22.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.564 HG22 HD22 ' A' ' 78' ' ' LEU . 68.3 p -63.26 167.4 5.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.036 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 17' ' ' LEU . 3.4 tm? -57.11 -42.27 80.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.02 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.2 p -64.81 -16.88 63.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.399 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.46 21.39 11.56 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 121.237 -0.506 . . . . 0.0 111.968 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -81.6 124.24 29.37 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 m -86.14 126.94 34.59 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.853 0.359 . . . . 0.0 110.958 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.652 HD13 HD11 ' A' ' 39' ' ' ILE . 17.2 mt -133.33 129.04 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.62 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.7 m -107.7 126.74 52.97 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.431 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.487 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -131.75 140.65 49.3 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 5.9 mp0 -83.24 107.99 16.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.527 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.637 HG12 ' CD ' ' A' ' 38' ' ' LYS . 4.6 m -126.14 -172.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.404 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.694 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.9 mm-40 -107.15 158.41 17.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.694 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 65.0 p -60.77 -21.44 63.04 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.705 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.593 ' HA ' ' H ' ' A' ' 66' ' ' SER . 58.7 p -116.35 4.76 13.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.468 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.529 ' HB2' ' H ' ' A' ' 27' ' ' GLU . 6.9 t70 -40.09 148.77 0.07 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.694 0.283 . . . . 0.0 110.973 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.1 p -99.25 163.25 12.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.383 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.439 HG22 ' HG3' ' A' ' 36' ' ' LYS . 31.9 mm -52.26 -54.36 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.311 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.86 -43.52 18.71 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.809 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -69.18 -40.41 78.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.302 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.12 -47.71 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.788 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HG3' HG22 ' A' ' 32' ' ' ILE . 36.7 mtmt -59.66 -64.79 0.82 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.724 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -46.22 -47.5 17.9 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.929 0.395 . . . . 0.0 110.376 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.637 ' CD ' HG12 ' A' ' 26' ' ' VAL . 30.8 mttm -50.14 -35.83 27.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.77 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.652 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -67.48 -40.17 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.135 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.31 -32.59 64.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.696 0.284 . . . . 0.0 110.65 -179.484 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 15.8 t70 -72.79 -20.99 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.69 -46.47 7.56 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.318 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -118.78 6.11 11.51 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.25 -39.45 1.87 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.478 HG21 ' CD2' ' A' ' 80' ' ' LEU . 7.1 mm -39.58 125.19 1.46 Allowed Pre-proline 0 N--CA 1.464 0.244 0 CA-C-O 120.501 0.191 . . . . 0.0 111.229 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.2 Cg_exo -70.04 142.81 47.68 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 122.409 2.073 . . . . 0.0 112.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -52.94 -40.37 76.07 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.641 2.228 . . . . 0.0 112.316 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.68 -22.25 66.35 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.786 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -97.42 -12.3 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.632 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 1.032 HE22 HD21 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -99.1 135.21 40.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.47 -179.433 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.641 ' HB3' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -117.49 150.42 38.95 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.098 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -123.25 117.95 26.48 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.328 -179.238 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.406 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.4 mp -116.83 126.66 74.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.469 ' HB2' HD11 ' A' ' 59' ' ' LEU . 24.2 t90 -145.71 139.92 26.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.954 0.407 . . . . 0.0 110.867 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 58.01 53.11 7.05 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.288 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.689 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 56.26 2.45 0.42 Allowed Glycine 0 CA--C 1.531 1.072 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.693 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 55' ' ' ALA . 15.4 ttmt -121.64 144.33 48.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 117.178 0.489 . . . . 0.0 111.177 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -79.35 120.74 24.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.638 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 54' ' ' TRP . 57.8 mt -71.07 125.91 28.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.924 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' H ' ' HG3' ' A' ' 63' ' ' ARG . 1.6 mt-10 -82.4 138.86 34.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.942 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -44.68 -24.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.06 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.12 4.97 85.39 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 121.285 -0.483 . . . . 0.0 112.03 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HG3' ' H ' ' A' ' 60' ' ' GLU . 11.9 mmt85 -82.09 153.42 26.1 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.3 p -116.89 168.21 10.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.641 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 27' ' ' GLU . 6.3 mt -75.94 -42.13 49.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.152 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.593 ' H ' ' HA ' ' A' ' 29' ' ' SER . 41.5 p -73.1 -9.94 59.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.202 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.25 -61.91 1.97 Allowed 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -87.35 3.47 46.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.49 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 t30 73.82 27.88 1.64 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.12 0.486 . . . . 0.0 109.76 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.9 mt -56.28 112.81 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.525 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.626 HE21 ' H ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -70.71 -150.29 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.274 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.451 ' H ' HE21 ' A' ' 71' ' ' GLN . 7.1 ptm85 -99.83 -39.04 8.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.732 0.301 . . . . 0.0 110.385 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.626 ' H ' HE21 ' A' ' 71' ' ' GLN . 46.3 mt-10 -81.95 55.03 2.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.258 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.9 p -114.95 148.03 39.26 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.6 m -99.23 98.04 9.06 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.024 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mp -78.51 96.75 5.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.575 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.43 109.84 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.027 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.032 HD21 HE22 ' A' ' 50' ' ' GLN . 5.9 tt -105.6 143.08 34.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.226 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.641 HG23 ' HB3' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -125.14 119.5 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.957 0.408 . . . . 0.0 110.401 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.478 ' CD2' HG21 ' A' ' 45' ' ' ILE . 10.9 mt -75.39 117.99 17.8 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.749 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.431 ' NE ' ' HB2' ' A' ' 51' ' ' ARG . 6.0 mtt85 . . . . . 0 N--CA 1.462 0.153 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.733 0.302 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.405 ' HB2' ' CD ' ' A' ' 95' ' ' GLU . 1.7 m-20 -134.99 -78.79 0.44 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.298 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.446 ' HA ' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -146.79 -43.91 0.18 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -105.41 -41.66 5.45 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.626 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.405 ' CD ' ' HB2' ' A' ' 92' ' ' ASP . 0.6 OUTLIER -66.74 -11.59 55.25 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.181 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 97' ' ' ILE . 1.1 pp -78.65 -10.3 59.7 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.764 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.7 mt -90.49 -55.96 5.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.495 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -59.57 -33.84 71.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.552 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -80.6 -36.22 33.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.988 -179.645 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -65.95 -19.62 65.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.069 0.461 . . . . 0.0 109.825 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.689 HG23 ' HA2' ' A' ' 56' ' ' GLY . 74.1 mt -94.11 -28.55 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.29 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.02 -11.93 31.88 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -178.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.823 HD12 ' N ' ' A' ' 104' ' ' SER . 2.6 pp -96.1 -70.22 0.72 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.363 -0.935 . . . . 0.0 112.849 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.823 ' N ' HD12 ' A' ' 103' ' ' LEU . 18.6 m -98.65 -12.09 21.41 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.503 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 C-N-CA 120.721 -0.391 . . . . 0.0 111.924 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.921 0.391 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.499 HD12 HD13 ' A' ' 76' ' ' LEU . 29.7 pt -73.0 173.65 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.166 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -126.3 140.03 52.84 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.952 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.3 150.76 50.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.4 ttpp -131.58 120.86 23.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.568 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -69.66 173.28 6.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.753 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.669 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -58.7 -47.08 85.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.206 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -62.24 -21.73 65.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.59 42.12 2.39 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.006 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -94.26 124.96 38.6 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.112 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -87.21 116.57 25.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.4 mt -132.65 136.08 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.467 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 m -106.39 137.5 44.25 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.527 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -127.07 131.59 50.86 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.016 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.06 94.09 6.52 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.169 0.509 . . . . 0.0 110.052 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.77 HG12 ' HD2' ' A' ' 38' ' ' LYS . 4.6 m -119.29 -169.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.062 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.72 ' O ' HD12 ' A' ' 65' ' ' LEU . 47.6 mm-40 -111.02 154.12 24.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.256 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.4 p -57.19 -23.04 44.97 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.153 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.628 ' HA ' ' H ' ' A' ' 66' ' ' SER . 82.9 p -116.41 4.35 13.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.885 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' H ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -46.1 158.58 0.09 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.68 0.276 . . . . 0.0 110.88 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -91.41 149.06 21.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.369 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.406 ' HA ' HD13 ' A' ' 32' ' ' ILE . 31.3 mm -53.12 -47.55 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.471 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.61 -43.8 46.74 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.562 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -66.05 -39.62 90.27 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.927 0.394 . . . . 0.0 109.938 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.48 -43.65 83.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 47' ' ' PRO . 21.8 mtpt -61.81 -59.6 4.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.138 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 40' ' ' GLN . 12.1 t -49.7 -50.64 43.09 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.011 0.434 . . . . 0.0 110.22 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.77 ' HD2' HG12 ' A' ' 26' ' ' VAL . 35.2 mttm -49.02 -34.27 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.731 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -40.22 82.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.92 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.3 pp0? -56.26 -28.89 60.16 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.799 0.333 . . . . 0.0 110.209 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 27.0 t70 -71.75 -23.6 61.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -92.1 -42.63 9.83 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.092 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' A' ' 45' ' ' ILE . 36.8 mt-10 -120.28 7.19 10.7 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.07 -39.13 1.15 Allowed Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.433 ' H ' ' C ' ' A' ' 43' ' ' GLU . 16.8 mm -37.13 128.89 0.78 Allowed Pre-proline 0 N--CA 1.464 0.239 0 C-N-CA 122.236 0.214 . . . . 0.0 111.213 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -65.97 137.65 49.54 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 C-N-CA 122.159 1.906 . . . . 0.0 111.649 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 2.6 Cg_endo -48.73 -42.89 35.88 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 122.878 2.385 . . . . 0.0 112.609 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.51 -28.79 69.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.976 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -73.82 -13.94 61.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.306 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.699 ' HB3' HD11 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -107.21 149.83 27.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.057 0.456 . . . . 0.0 111.596 -179.127 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.495 HH22 HE22 ' A' ' 58' ' ' GLN . 4.1 mmp_? -127.57 147.77 50.34 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.553 ' C ' HD12 ' A' ' 53' ' ' ILE . 4.1 mm? -111.04 113.43 25.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.862 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.553 HD12 ' C ' ' A' ' 52' ' ' LEU . 2.0 mp -114.87 122.35 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.967 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.515 ' CB ' HD11 ' A' ' 59' ' ' LEU . 71.7 t-105 -132.44 132.34 42.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.914 0.388 . . . . 0.0 110.735 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 53.79 61.23 3.19 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.598 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 55.33 3.43 0.37 Allowed Glycine 0 CA--C 1.53 1.015 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.934 178.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 55' ' ' ALA . 25.6 mttm -118.49 142.15 47.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 117.228 0.514 . . . . 0.0 110.984 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.495 HE22 HH22 ' A' ' 51' ' ' ARG . 0.0 OUTLIER -86.4 125.85 33.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.365 179.721 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.515 HD11 ' CB ' ' A' ' 54' ' ' TRP . 7.8 mt -83.03 144.64 29.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.675 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.0 140.71 29.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.561 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -55.47 -24.03 28.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.205 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.79 -9.6 86.8 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -74.74 164.44 26.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.39 . . . . 0.0 111.189 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.0 p -116.76 169.41 9.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.161 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.0 mt -75.43 -42.02 54.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.826 -179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.628 ' H ' ' HA ' ' A' ' 29' ' ' SER . 55.5 p -77.67 -10.64 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -60.17 3.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.83 1.0 48.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.5 t30 67.2 35.15 4.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.304 0.573 . . . . 0.0 109.9 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.3 mt -57.32 -22.39 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.942 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 53.49 -156.95 0.18 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.797 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 11.0 ptt85 -101.95 -52.05 3.26 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.154 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 3.2 pt-20 -75.59 63.21 1.51 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.129 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t -131.64 151.9 51.25 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.5 m -99.17 103.14 15.01 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.841 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.499 HD13 HD12 ' A' ' 12' ' ' ILE . 3.9 mp -84.42 96.2 9.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.65 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.2 117.23 10.57 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.204 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.699 HD11 ' HB3' ' A' ' 50' ' ' GLN . 7.3 tt -115.01 151.97 33.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.287 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 51' ' ' ARG . 30.4 m -130.18 127.43 63.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.938 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -85.12 127.86 34.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.196 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 . . . . . 0 N--CA 1.463 0.21 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.756 179.9 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -88.23 -86.43 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.003 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.639 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.4 tt0 -140.63 -40.12 0.42 Allowed 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.385 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -111.99 -43.09 3.63 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.848 0.356 . . . . 0.0 110.803 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -63.73 -9.85 16.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.639 HD22 ' O ' ' A' ' 93' ' ' GLU . 0.9 OUTLIER -73.7 -10.49 59.74 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.552 ' N ' HD23 ' A' ' 96' ' ' LEU . 3.8 mt -95.87 -51.18 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -66.18 -33.52 75.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.121 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 0.4 OUTLIER -75.38 -38.73 59.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.474 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.529 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -72.92 -29.06 62.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.983 0.421 . . . . 0.0 110.118 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.473 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 5.7 mt -70.0 -39.88 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.381 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -93.19 -10.8 34.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.058 -0.973 . . . . 0.0 112.139 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 13.1 mt -89.4 -74.44 0.48 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.275 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.3 m -100.27 -10.38 21.37 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 1.2 mm? . . . . . 0 C--N 1.325 -0.475 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.198 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.604 0.24 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.4 pt -79.75 -177.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.074 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -126.03 136.22 52.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.246 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.05 137.48 53.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.955 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.7 ttpp -127.55 115.53 18.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.8 p -68.14 167.5 14.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.174 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.699 HD11 HD21 ' A' ' 103' ' ' LEU . 12.4 tp -66.36 -16.95 64.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.293 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -85.48 -19.94 30.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.378 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.66 44.55 1.94 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.99 -0.444 . . . . 0.0 111.99 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 29.4 tptp -105.13 115.37 30.16 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -82.94 123.4 29.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 39' ' ' ILE . 35.4 mt -131.68 128.31 60.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -102.83 127.39 50.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.22 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -132.43 136.47 46.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.989 -179.52 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.96 97.71 5.42 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.189 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.2 m -131.13 -172.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.406 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.515 ' O ' HD12 ' A' ' 65' ' ' LEU . 4.5 mm-40 -106.28 156.93 17.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.062 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -66.2 -12.63 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.621 ' HA ' ' H ' ' A' ' 66' ' ' SER . 91.2 p -121.67 -0.14 9.74 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.02 124.65 10.46 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.431 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 17.9 p -53.91 157.42 2.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.668 0.271 . . . . 0.0 110.766 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 32' ' ' ILE . 29.1 mm -54.58 -42.23 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.37 -47.84 37.04 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.769 0.318 . . . . 0.0 110.253 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.37 -37.02 86.03 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.781 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.3 -48.93 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.454 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -62.15 -61.64 2.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.216 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.456 ' N ' ' HB3' ' A' ' 47' ' ' PRO . 21.7 t -48.45 -51.38 27.22 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.85 0.357 . . . . 0.0 110.258 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -48.96 -33.88 11.83 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.594 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -67.9 -42.41 85.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 179.283 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -58.83 -27.27 64.95 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.621 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 2.7 t70 -71.33 -27.24 63.24 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -92.32 -38.66 11.92 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.042 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -116.61 5.27 13.24 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 71.6 -44.05 0.77 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.09 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.483 ' HB ' HE22 ' A' ' 50' ' ' GLN . 93.2 mt -44.31 128.44 4.67 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 120.674 0.273 . . . . 0.0 111.473 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -52.05 139.0 52.8 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.095 2.53 . . . . 0.0 112.746 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.456 ' HB3' ' N ' ' A' ' 37' ' ' SER . 2.4 Cg_endo -54.05 -33.01 71.64 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.845 2.363 . . . . 0.0 112.368 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -70.77 -11.32 60.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.526 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -92.69 -12.44 31.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.953 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.483 HE22 ' HB ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.6 154.69 24.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.18 0.514 . . . . 0.0 111.326 -179.506 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -131.61 157.38 43.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.138 179.108 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.624 ' HB3' HD12 ' A' ' 59' ' ' LEU . 3.9 mm? -114.05 110.81 20.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.162 -0.311 . . . . 0.0 110.162 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.59 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -113.01 120.0 61.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.468 ' HB2' HD11 ' A' ' 59' ' ' LEU . 1.4 t90 -141.08 140.09 34.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.973 0.416 . . . . 0.0 110.765 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.514 ' H ' ' CD1' ' A' ' 105' ' ' LEU . . . 54.46 54.08 9.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.286 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.649 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 56.41 2.09 0.39 Allowed Glycine 0 CA--C 1.529 0.956 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.695 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 55' ' ' ALA . 3.5 mmmm -115.09 137.39 52.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.275 0.538 . . . . 0.0 111.254 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -82.16 125.58 31.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.944 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.624 HD12 ' HB3' ' A' ' 52' ' ' LEU . 9.5 mt -92.27 155.77 17.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.384 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -133.09 171.27 14.22 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.951 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -52.55 -35.8 54.35 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.813 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.96 -21.33 69.55 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -85.38 152.87 22.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.743 0.306 . . . . 0.0 110.307 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 31' ' ' THR . 38.6 p -118.07 161.87 19.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 27' ' ' GLU . 10.7 mt -61.82 -40.82 96.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.962 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.621 ' H ' ' HA ' ' A' ' 29' ' ' SER . 42.5 t -67.1 -9.61 41.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.084 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.8 -44.98 90.91 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.079 0.466 . . . . 0.0 109.936 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.53 -3.97 26.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 75.08 63.76 0.06 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.278 0.561 . . . . 0.0 109.935 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.2 mm -93.58 138.02 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.698 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -121.81 177.62 5.2 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.753 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -58.47 -50.87 72.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.576 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.08 45.41 0.63 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.693 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.2 p -121.68 153.31 38.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.78 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.5 m -111.62 108.66 18.22 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.368 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.04 137.88 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.487 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -95.5 109.55 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.525 HD13 HG13 ' A' ' 39' ' ' ILE . 3.5 tt -100.38 142.36 31.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.81 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.617 HG13 HD11 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -107.58 145.07 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.839 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.457 HD11 HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -121.62 105.61 10.59 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.638 -179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 . . . . . 0 N--CA 1.462 0.148 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.809 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.778 0.323 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.404 ' HB2' ' CD ' ' A' ' 95' ' ' GLU . 2.2 m-20 -88.19 -103.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.951 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.57 ' O ' HD22 ' A' ' 96' ' ' LEU . 7.2 tt0 -126.23 -36.0 2.36 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.109 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -112.42 -44.57 3.35 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.351 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.404 ' CD ' ' HB2' ' A' ' 92' ' ' ASP . 2.3 pm0 -62.33 -9.65 8.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.846 0.355 . . . . 0.0 110.684 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.7 HD23 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -76.38 -10.35 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.871 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.7 ' N ' HD23 ' A' ' 96' ' ' LEU . 1.5 mt -95.83 -52.11 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.506 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -60.91 -34.97 75.48 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.687 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.9 OUTLIER -80.07 -29.65 39.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.61 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.83 -26.63 65.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.649 HG23 ' HA2' ' A' ' 56' ' ' GLY . 48.4 mt -84.82 -30.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.351 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.83 -12.02 32.18 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.813 HD12 ' N ' ' A' ' 104' ' ' SER . 2.6 pp -97.12 -69.66 0.75 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.129 -1.028 . . . . 0.0 113.267 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.813 ' N ' HD12 ' A' ' 103' ' ' LEU . 99.8 p -99.59 -10.35 22.14 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 3.6 mm? . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.458 HE21 HG21 ' A' ' 23' ' ' THR . 7.5 pt20 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.845 0.355 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.475 HG22 ' HA ' ' A' ' 72' ' ' ARG . 36.8 pt -82.04 -174.77 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -125.2 134.77 52.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.569 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.29 129.59 55.55 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -122.42 119.39 30.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 111.237 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 p -73.86 158.62 34.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.198 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 17' ' ' LEU . 15.6 tp -62.34 -17.68 59.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.432 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.3 p -79.54 -18.89 50.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.503 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.58 33.48 4.76 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.35 120.27 41.17 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -87.94 132.35 34.26 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.508 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.851 HD13 HD11 ' A' ' 39' ' ' ILE . 21.6 mt -132.57 124.68 51.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.546 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.458 HG21 HE21 ' A' ' 11' ' ' GLN . 89.9 m -104.49 123.57 47.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.303 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.48 140.1 48.24 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -76.65 108.28 9.54 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.482 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.418 ' CG2' HG23 ' A' ' 12' ' ' ILE . 34.1 m -133.13 141.77 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.73 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.684 ' O ' HD12 ' A' ' 65' ' ' LEU . 8.1 mm-40 -68.15 161.55 26.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.059 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 t -61.96 -23.04 66.14 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.258 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.609 ' HA ' ' H ' ' A' ' 66' ' ' SER . 90.9 p -115.64 4.23 14.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -178.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.19 158.76 0.23 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.752 0.31 . . . . 0.0 110.724 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.2 p -100.51 165.14 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.395 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.526 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 42.7 mm -52.85 -48.97 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.065 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -43.5 -44.7 6.12 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -65.4 -37.07 85.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.037 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' ILE . 61.8 t -64.14 -49.75 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.914 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -59.74 -62.54 1.8 Allowed 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.063 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.5 p -46.25 -48.48 17.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.909 0.385 . . . . 0.0 110.319 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -53.54 -31.16 45.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.302 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.851 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -68.31 -47.71 76.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.744 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.482 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 2.3 pt20 -63.91 -21.61 66.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.794 0.331 . . . . 0.0 110.95 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -77.39 -36.57 53.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.077 0.465 . . . . 0.0 109.787 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -90.28 -37.49 14.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.394 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' A' ' 45' ' ' ILE . 8.3 mp0 -118.41 6.65 11.82 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 70.69 -44.67 0.64 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.81 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.604 HG21 HE21 ' A' ' 50' ' ' GLN . 79.4 mt -38.77 123.89 1.19 Allowed Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 2.6 Cg_endo -48.0 140.67 18.45 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.994 2.463 . . . . 0.0 112.403 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.62 -39.35 35.73 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.551 2.167 . . . . 0.0 112.138 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.67 -44.18 91.19 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.723 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.69 -10.17 1.49 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.684 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.604 HE21 HG21 ' A' ' 45' ' ' ILE . 22.6 mt-30 -113.41 156.23 23.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.868 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -140.63 168.53 19.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.73 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.706 HD12 HD12 ' A' ' 76' ' ' LEU . 1.3 mm? -121.52 109.13 14.44 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -112.8 124.65 69.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.47 ' HB3' HD11 ' A' ' 59' ' ' LEU . 20.0 t-105 -156.21 136.24 12.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.032 0.444 . . . . 0.0 110.74 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.656 ' HA ' HD11 ' A' ' 105' ' ' LEU . . . 71.24 41.45 0.77 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.982 179.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.584 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 62.49 2.21 4.13 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.547 178.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -125.76 138.68 53.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.054 0.454 . . . . 0.0 110.795 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -73.96 126.72 31.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.459 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.654 HD12 ' HB3' ' A' ' 52' ' ' LEU . 71.3 mt -76.84 139.03 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.746 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -94.37 142.41 27.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.177 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.526 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -49.95 -22.93 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.56 -179.22 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.4 -0.62 67.44 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 149.01 34.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.796 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -113.33 170.95 7.86 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.684 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.8 mt -84.18 -36.56 22.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.754 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.609 ' H ' ' HA ' ' A' ' 29' ' ' SER . 14.2 p -73.21 -9.6 58.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.696 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.66 -61.57 2.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.02 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -96.8 0.44 49.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.641 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 73.01 36.4 0.87 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.123 0.487 . . . . 0.0 110.006 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.3 mt -54.05 119.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -94.09 152.27 18.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HA ' HG22 ' A' ' 12' ' ' ILE . 16.4 ptt180 -46.95 -40.07 13.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.979 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -78.27 50.34 0.91 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.5 t -127.9 151.02 49.6 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.4 m -107.86 105.98 16.04 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.82 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.706 HD12 HD12 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -89.06 123.41 33.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.293 -179.088 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -76.96 105.74 8.22 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 tt -99.52 132.86 44.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.139 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.761 HG13 HD13 ' A' ' 96' ' ' LEU . 2.1 t -97.6 143.01 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.883 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.501 HD21 HG21 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -124.15 97.63 5.42 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.467 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.488 ' HA ' HD21 ' A' ' 96' ' ' LEU . 12.5 ptt180 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.446 ' HB1' ' HB3' ' A' ' 96' ' ' LEU . . . . . . . . 0 C--O 1.232 0.168 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -135.22 -61.47 0.74 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.674 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.739 ' O ' HD11 ' A' ' 96' ' ' LEU . 4.3 tm-20 -160.43 -62.62 0.06 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.341 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.26 -45.47 10.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.457 ' HG2' ' H ' ' A' ' 96' ' ' LEU . 2.1 pm0 -53.27 -58.83 5.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.756 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.002 HD12 ' N ' ' A' ' 97' ' ' ILE . 2.1 pp -39.27 -29.5 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 1.002 ' N ' HD12 ' A' ' 96' ' ' LEU . 1.6 mt -84.68 -62.94 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.336 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.468 ' N ' HG22 ' A' ' 97' ' ' ILE . 2.8 ptp180 -56.08 -32.61 64.3 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 103' ' ' LEU . 0.2 OUTLIER -66.54 -71.34 0.2 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -38.79 -29.58 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.885 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.477 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 81.5 mt -76.74 -40.56 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 120.955 0.407 . . . . 0.0 110.862 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.3 mp0 -85.67 -21.15 28.5 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 104' ' ' SER . 1.0 OUTLIER -97.19 -68.36 0.8 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -178.39 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.654 ' N ' HD12 ' A' ' 103' ' ' LEU . 15.6 m -84.73 -11.66 55.36 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.656 HD11 ' HA ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.079 -179.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.49 ' HB3' HG22 ' A' ' 23' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.732 0.301 . . . . 0.0 110.589 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 24' ' ' LEU . 41.6 pt -74.51 178.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.244 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -129.53 134.91 48.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.932 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -120.77 141.72 50.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.22 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -132.11 120.07 21.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.998 0.428 . . . . 0.0 110.961 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 37.4 p -80.23 175.91 10.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.762 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 17' ' ' LEU . 2.7 tm? -54.82 -48.78 72.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.331 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -59.08 -21.05 58.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.047 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.35 38.25 4.84 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 9.6 tmtt? -91.83 120.28 32.39 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -86.02 125.17 33.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.816 0.341 . . . . 0.0 110.67 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.694 HD13 HD11 ' A' ' 39' ' ' ILE . 28.3 mt -132.64 128.94 58.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.544 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.49 HG22 ' HB3' ' A' ' 11' ' ' GLN . 44.7 m -105.66 129.15 53.95 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -132.76 138.83 47.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.13 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.9 113.67 12.47 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.188 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 12' ' ' ILE . 29.2 m -146.85 -169.27 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 121.093 0.473 . . . . 0.0 111.405 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.666 ' O ' HD12 ' A' ' 65' ' ' LEU . 1.6 mp0 -115.27 164.31 14.43 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.188 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -17.85 64.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.804 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.563 ' HA ' ' H ' ' A' ' 66' ' ' SER . 4.0 m -116.26 4.86 13.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.0 153.1 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.642 0.258 . . . . 0.0 110.407 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 37.1 p -94.78 156.86 16.19 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.589 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.486 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 33.5 mm -54.49 -52.79 36.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.256 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -48.45 -41.33 29.2 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.836 0.351 . . . . 0.0 110.219 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -71.42 -40.36 70.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.493 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.9 t -59.4 -46.28 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.355 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' HG22 ' A' ' 39' ' ' ILE . 54.6 mtmt -62.46 -62.35 1.81 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.192 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.6 p -47.08 -50.83 19.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.936 0.398 . . . . 0.0 110.237 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -51.29 -34.03 31.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.137 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.694 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -72.63 -42.27 62.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.5 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.4 -27.05 55.18 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.592 -179.652 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.5 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 25.4 t70 -70.41 -25.52 63.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.81 -40.15 10.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.216 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -114.55 3.63 14.93 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 73.8 -42.99 1.13 Allowed Glycine 0 CA--C 1.53 0.969 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.167 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.411 ' HB ' ' NE2' ' A' ' 50' ' ' GLN . 14.6 mt -42.22 120.18 2.36 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-O 120.589 0.233 . . . . 0.0 111.335 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.01 139.09 42.57 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.995 2.463 . . . . 0.0 112.649 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -49.21 -46.76 24.56 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 123.153 2.568 . . . . 0.0 112.569 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.48 -43.68 98.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.677 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -59.95 -13.45 11.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.471 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.44 HE22 ' CG2' ' A' ' 39' ' ' ILE . 60.5 mt-30 -114.4 158.83 21.0 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.12 0.486 . . . . 0.0 111.28 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -147.89 163.24 37.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.994 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 53' ' ' ILE . 5.0 mp -121.33 128.31 52.15 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.671 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.3 mp -116.29 123.61 71.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -148.72 135.65 19.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.048 0.452 . . . . 0.0 111.147 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.635 ' H ' HD21 ' A' ' 105' ' ' LEU . . . 66.65 46.91 1.68 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.778 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.592 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 60.67 2.82 2.67 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.448 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -129.29 132.96 47.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.014 0.407 . . . . 0.0 110.94 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.75 122.51 16.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.458 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.406 HD21 ' OH ' ' A' ' 68' ' ' TYR . 5.2 mt -67.82 125.07 25.09 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.738 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.66 128.92 36.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.814 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.486 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -51.1 -18.94 0.95 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.24 -178.698 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.41 -3.58 86.66 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.443 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -84.35 170.0 14.06 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.025 0.441 . . . . 0.0 111.056 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 31' ' ' THR . 68.7 p -118.32 178.91 4.27 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.882 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 27' ' ' GLU . 6.7 mt -80.1 -38.07 32.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.966 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.563 ' H ' ' HA ' ' A' ' 29' ' ' SER . 36.0 t -65.04 -9.14 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.19 -28.1 24.97 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.966 0.413 . . . . 0.0 110.211 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.406 ' OH ' HD21 ' A' ' 59' ' ' LEU . 10.7 m-85 -125.74 -3.58 7.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.335 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t30 77.58 38.66 0.2 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.421 0.629 . . . . 0.0 109.643 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.571 HG23 ' CB ' ' A' ' 74' ' ' SER . 8.2 mt -66.56 115.7 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.44 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -84.35 -135.09 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.462 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.37 -39.82 7.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.232 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -84.19 44.83 1.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.219 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.571 ' CB ' HG23 ' A' ' 70' ' ' ILE . 94.9 p -102.7 140.09 37.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.998 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.4 m -101.61 97.06 7.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.867 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.402 HD22 HD12 ' A' ' 12' ' ' ILE . 3.5 mp -82.0 156.94 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.799 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -117.46 109.44 16.76 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.562 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 16' ' ' THR . 4.4 tt -107.99 139.23 42.92 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 96' ' ' LEU . 2.1 t -106.94 126.22 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.187 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 80' ' ' LEU . 34.2 mt -97.82 102.34 14.07 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.646 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.4 ptt85 . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.387 179.821 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.676 0.274 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -142.73 34.9 1.42 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.64 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 94' ' ' GLU . 0.5 OUTLIER 59.17 69.39 0.72 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.664 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 1.009 ' H ' HD22 ' A' ' 96' ' ' LEU . 23.0 tt0 156.73 -82.48 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.462 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.431 ' N ' ' HG2' ' A' ' 94' ' ' GLU . 7.4 pt-20 -63.25 -10.26 14.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.274 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.009 HD22 ' H ' ' A' ' 94' ' ' GLU . 0.6 OUTLIER -70.71 -11.13 60.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.772 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.715 ' N ' HD23 ' A' ' 96' ' ' LEU . 1.8 mt -95.24 -53.81 7.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 120.704 0.288 . . . . 0.0 110.347 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.0 ptt85 -66.79 -39.49 87.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.976 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 10.9 ptmm? -65.43 -30.72 71.55 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.184 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.76 -26.07 49.59 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.723 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.543 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 42.9 mt -78.44 -29.25 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -93.93 -11.22 31.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.295 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -90.24 -73.96 0.51 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -177.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 t -97.82 -11.52 23.21 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.635 HD21 ' H ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 120.788 0.328 . . . . 0.0 110.694 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' N ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.737 0.303 . . . . 0.0 110.398 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.446 HG12 HG22 ' A' ' 26' ' ' VAL . 17.7 pt -76.43 175.98 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.837 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.17 131.94 54.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.86 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.32 145.25 48.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.02 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.12 118.22 19.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.425 HG22 HD22 ' A' ' 78' ' ' LEU . 36.7 p -64.63 162.53 15.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.07 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.547 HD23 ' CB ' ' A' ' 91' ' ' ALA . 12.8 tp -67.6 -10.15 49.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.272 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -88.67 -15.4 35.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.53 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.14 24.55 8.91 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.87 126.5 42.06 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -91.16 127.99 36.81 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.759 0.314 . . . . 0.0 111.046 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.605 HD13 HD11 ' A' ' 39' ' ' ILE . 15.0 mt -133.59 132.46 57.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.546 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -107.2 130.42 54.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.229 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.26 140.14 48.52 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.63 106.32 10.52 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.678 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG22 HG12 ' A' ' 12' ' ' ILE . 3.3 m -130.42 -172.76 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.093 0.473 . . . . 0.0 111.222 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.544 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.8 mm-40 -113.28 163.73 14.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.024 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 30.3 t -65.0 -18.02 64.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.084 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.607 ' HA ' ' H ' ' A' ' 66' ' ' SER . 83.5 p -119.09 4.51 11.35 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.49 154.01 0.32 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.449 HG22 HG22 ' A' ' 64' ' ' THR . 27.9 p -98.51 160.92 13.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.628 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.452 HD11 HD22 ' A' ' 59' ' ' LEU . 14.9 mm -53.19 -50.69 45.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.247 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -45.33 -45.58 12.45 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.788 0.328 . . . . 0.0 110.328 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -65.14 -36.77 85.28 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.648 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.77 -45.9 97.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HG2' HE22 ' A' ' 50' ' ' GLN . 37.2 mttp -59.02 -63.98 1.11 Allowed 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.858 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.0 p -49.56 -50.73 41.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.624 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -48.59 -32.92 8.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.27 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.605 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -71.36 -42.06 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.397 179.538 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -57.32 -27.23 62.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.841 0.353 . . . . 0.0 110.646 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -73.42 -27.72 61.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -91.06 -40.67 11.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.422 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' A' ' 45' ' ' ILE . 34.1 mt-10 -123.13 7.68 9.18 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 74.04 -34.46 0.91 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.487 ' H ' ' C ' ' A' ' 43' ' ' GLU . 36.3 mm -37.5 121.26 0.92 Allowed Pre-proline 0 N--CA 1.464 0.271 0 CA-C-O 120.581 0.229 . . . . 0.0 111.294 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -62.17 134.68 50.37 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.161 1.907 . . . . 0.0 111.664 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -47.95 -34.21 22.04 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 123.002 2.468 . . . . 0.0 112.692 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.29 -41.44 33.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.312 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -63.53 -16.81 61.79 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.074 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.426 HE22 ' HG2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -115.42 159.66 20.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.944 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.35 163.99 29.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.937 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -133.93 129.09 35.81 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.037 0.446 . . . . 0.0 111.444 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.619 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -120.44 134.43 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.666 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.414 ' HB3' HD11 ' A' ' 59' ' ' LEU . 1.1 t-105 -151.89 137.97 18.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.001 0.429 . . . . 0.0 111.192 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.605 ' N ' HD21 ' A' ' 105' ' ' LEU . . . 59.17 46.77 12.62 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.709 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.489 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 63.29 -5.73 0.6 Allowed Glycine 0 CA--C 1.528 0.864 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.317 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 55' ' ' ALA . 23.9 ttpt -118.78 126.68 52.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.971 0.415 . . . . 0.0 110.631 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.24 127.82 33.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.963 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.587 HD12 ' HB3' ' A' ' 52' ' ' LEU . 22.2 mt -64.82 114.44 4.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.377 . . . . 0.0 110.773 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.6 143.73 28.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -45.14 -38.5 5.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.403 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.38 -1.04 68.72 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.246 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -84.22 147.93 27.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.449 HG22 HG22 ' A' ' 31' ' ' THR . 41.2 p -115.61 -178.0 3.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.457 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.7 mt -92.35 -38.73 11.87 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.394 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.607 ' H ' ' HA ' ' A' ' 29' ' ' SER . 25.5 t -69.34 -9.69 54.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.513 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.456 ' CG ' ' N ' ' A' ' 68' ' ' TYR . 16.0 p-10 -52.84 -57.3 10.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.371 . . . . 0.0 110.112 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.456 ' N ' ' CG ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -95.6 0.78 53.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.728 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 72.8 35.99 0.97 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.235 0.54 . . . . 0.0 110.146 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.67 119.98 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.5 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -156.27 0.06 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.886 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.462 ' C ' ' H ' ' A' ' 74' ' ' SER . 18.3 ptt85 -98.68 -38.07 9.25 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.31 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -77.85 27.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 110.124 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.462 ' H ' ' C ' ' A' ' 72' ' ' ARG . 5.6 m -89.02 146.17 25.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.796 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 m -102.91 104.24 14.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.221 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mp -82.85 143.28 30.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.476 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -107.56 108.39 19.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.512 HD12 HD11 ' A' ' 52' ' ' LEU . 5.5 tt -104.61 142.33 34.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.286 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.407 HG21 HD13 ' A' ' 53' ' ' ILE . 27.5 m -120.82 145.49 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.8 mt -114.56 139.41 49.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.679 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.557 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.547 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . . . . . . 0 C--O 1.232 0.159 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -140.79 -121.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.531 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.782 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.5 tt0 -99.14 -49.72 4.4 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.212 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.43 ' HG3' ' H ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -96.74 -48.24 5.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.214 -179.282 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 97' ' ' ILE . 1.9 mt-10 -48.66 -44.63 37.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.973 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.782 HD22 ' O ' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -34.54 -28.44 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -178.259 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.705 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.4 mt -81.96 -59.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.615 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -64.38 -27.88 69.31 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -69.07 -44.45 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.169 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.63 -22.88 60.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.563 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.441 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 45.6 mt -78.82 -34.27 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.61 -12.23 29.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.387 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 17' ' ' LEU . 20.9 mt -93.81 -73.45 0.57 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.9 p -90.97 -11.36 39.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.605 HD21 ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.361 -179.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.457 ' HB3' HG22 ' A' ' 23' ' ' THR . 12.2 mt-30 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.701 0.286 . . . . 0.0 110.458 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.56 HD12 HD22 ' A' ' 76' ' ' LEU . 28.4 pt -74.15 179.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.271 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -127.22 136.5 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.288 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.79 143.43 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.254 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -123.63 117.78 25.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.748 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.536 HG22 HD22 ' A' ' 78' ' ' LEU . 41.1 p -67.11 168.41 10.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.181 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.612 HD11 HD21 ' A' ' 103' ' ' LEU . 14.0 tp -66.25 -15.79 63.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.236 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.9 p -85.15 -20.53 30.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.492 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.59 40.44 3.17 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 8.7 tmtm? -104.43 127.35 52.1 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.64 122.54 30.7 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.816 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.687 HD13 HD11 ' A' ' 39' ' ' ILE . 9.0 mt -132.92 132.47 59.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.417 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 11' ' ' GLN . 12.3 m -100.58 132.24 46.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.132 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 mt -123.96 127.29 47.72 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.051 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -76.14 97.21 4.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.172 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.435 HG22 HG12 ' A' ' 12' ' ' ILE . 10.8 m -132.37 -170.14 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.164 0.507 . . . . 0.0 111.695 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.662 ' O ' HD12 ' A' ' 65' ' ' LEU . 14.3 mt-10 -107.23 156.64 18.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.71 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.7 p -64.19 -15.72 60.47 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.055 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.664 ' HA ' ' H ' ' A' ' 66' ' ' SER . 14.3 t -121.59 3.53 10.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.352 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.02 164.14 0.05 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.731 0.3 . . . . 0.0 110.792 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.2 p -96.91 161.24 13.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.429 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 29.3 mm -52.05 -46.56 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.57 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -47.6 -40.04 18.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -68.92 -43.14 75.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.679 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -65.4 -39.72 86.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.56 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.515 ' HA ' ' NE2' ' A' ' 50' ' ' GLN . 13.2 mttp -65.78 -63.63 1.04 Allowed 'General case' 0 N--CA 1.458 -0.046 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.071 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 98.9 p -46.77 -48.75 20.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.969 0.414 . . . . 0.0 110.051 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -52.71 -35.51 55.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.044 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.687 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -67.14 -47.29 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.721 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.491 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -58.27 -25.87 62.29 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.035 -179.261 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.491 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 21.7 t70 -74.39 -26.21 59.96 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -91.64 -39.31 11.93 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.341 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 45' ' ' ILE . 33.6 mt-10 -120.02 5.91 10.85 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.22 -41.01 1.28 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.437 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 11.5 mm -40.22 110.17 0.65 Allowed Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 122.128 0.171 . . . . 0.0 111.147 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 3.1 Cg_exo -50.3 144.6 23.2 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.415 2.076 . . . . 0.0 112.142 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -49.17 -33.89 29.04 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.971 2.447 . . . . 0.0 112.336 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -76.52 -41.53 46.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.283 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -58.81 -18.44 32.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.318 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.584 ' NE2' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -119.71 165.51 14.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.382 . . . . 0.0 111.019 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -142.11 171.48 13.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.834 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -129.83 118.41 21.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.934 0.397 . . . . 0.0 110.422 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.654 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -113.47 122.85 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.561 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -130.93 131.58 44.55 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.036 0.446 . . . . 0.0 111.192 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.478 ' H ' ' CD1' ' A' ' 105' ' ' LEU . . . 55.25 59.49 3.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.783 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.7 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 55.65 4.24 0.59 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-N 116.2 -0.454 . . . . 0.0 112.99 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -122.6 135.74 54.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 117.292 0.546 . . . . 0.0 110.94 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -72.32 130.21 40.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.836 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 52' ' ' LEU . 48.0 mt -79.3 134.29 36.63 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.728 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -90.67 140.71 29.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.409 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.471 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 6.1 p-10 -48.93 -30.23 5.68 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.455 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.97 -1.9 85.86 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -77.39 152.48 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 p -113.94 162.22 16.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.465 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.4 mt -70.68 -44.67 66.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.549 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.664 ' H ' ' HA ' ' A' ' 29' ' ' SER . 23.7 t -65.6 -9.9 30.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.134 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.68 -61.06 2.55 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.54 -0.41 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.255 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 77.51 49.3 0.05 OUTLIER 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.063 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.462 HG21 HD22 ' A' ' 65' ' ' LEU . 33.7 mm -78.23 116.02 21.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.52 -131.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.474 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -101.16 -42.84 6.2 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.079 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.48 85.27 2.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.4 m -131.24 151.27 51.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.542 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 m -98.58 96.8 8.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.56 HD22 HD12 ' A' ' 12' ' ' ILE . 4.3 mp -83.56 98.21 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.845 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -62.57 110.47 1.71 Allowed 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.596 HD13 HG13 ' A' ' 39' ' ' ILE . 5.3 tt -107.13 138.99 42.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.407 HG13 ' CD1' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -94.37 142.25 13.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.925 179.579 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -119.26 116.32 26.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.51 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.425 ' HG2' ' HG3' ' A' ' 93' ' ' GLU . 3.3 ttm-85 . . . . . 0 C--O 1.234 0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.566 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.096 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -122.23 44.45 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.725 0.298 . . . . 0.0 110.98 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 5.2 mp0 48.45 69.86 0.51 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.53 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.707 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.5 mt-10 151.49 -73.35 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -61.69 -9.14 5.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.233 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.707 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.2 pt? -69.15 -16.25 63.6 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.333 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.4 mt -95.31 -52.26 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -61.18 -35.37 76.96 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.82 0.343 . . . . 0.0 110.499 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.585 ' O ' HD23 ' A' ' 103' ' ' LEU . 3.3 ptmm? -76.26 -31.05 58.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.342 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.56 -30.2 68.92 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.7 HG23 ' HA2' ' A' ' 56' ' ' GLY . 25.6 mt -80.15 -28.96 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.274 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.98 -12.19 31.35 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.886 HD12 ' N ' ' A' ' 104' ' ' SER . 2.6 pp -97.18 -70.25 0.73 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 119.073 -1.051 . . . . 0.0 113.379 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.886 ' N ' HD12 ' A' ' 103' ' ' LEU . 25.6 t -99.54 -9.8 22.85 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -177.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 3.9 mm? . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.482 ' HB3' HG22 ' A' ' 23' ' ' THR . 1.2 mp0 . . . . . 0 C--O 1.232 0.146 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.504 HD12 HD22 ' A' ' 76' ' ' LEU . 40.8 pt -73.26 174.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.268 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -119.47 130.81 55.42 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.216 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.49 130.36 55.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.173 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HG3' ' H ' ' A' ' 16' ' ' THR . 1.1 tppt? -108.18 157.27 18.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.186 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.41 ' H ' ' HG3' ' A' ' 15' ' ' LYS . 69.5 p -112.54 164.23 13.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.402 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.764 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.3 tm? -54.23 -46.62 72.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.665 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.1 p -64.99 -21.88 66.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.838 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.51 47.74 1.49 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -105.67 131.0 53.57 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -90.23 129.65 36.45 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.022 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.84 128.07 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.298 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.482 HG22 ' HB3' ' A' ' 11' ' ' GLN . 2.8 m -108.35 128.48 54.8 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.416 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.425 HD12 HG13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -133.1 140.19 47.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.665 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.24 96.74 7.96 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 m -118.58 -178.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.921 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.714 ' O ' HD12 ' A' ' 65' ' ' LEU . 17.7 mm-40 -103.63 155.77 18.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.833 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.4 p -60.97 -23.05 65.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.33 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.603 ' HA ' ' H ' ' A' ' 66' ' ' SER . 1.4 m -115.15 4.05 14.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.569 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.09 160.87 0.18 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.897 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 p -98.61 158.8 15.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.459 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 40.9 mm -52.43 -48.19 46.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.513 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.25 -48.14 35.6 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.717 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -62.85 -44.45 96.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.045 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.2 t -57.34 -47.14 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.688 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 39' ' ' ILE . 29.2 mtpt -59.74 -62.21 2.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.061 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.4 p -45.94 -46.64 16.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.978 0.418 . . . . 0.0 109.879 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 9.4 mptt -49.26 -38.68 27.77 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.7 179.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -65.11 -42.89 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.497 179.657 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.418 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -57.33 -27.45 62.23 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.752 0.31 . . . . 0.0 110.754 -179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.53 -27.4 61.33 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.709 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 40.2 mmtm -92.27 -40.85 10.73 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.137 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -118.64 4.98 11.61 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.81 -42.52 1.82 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.701 HG21 ' CD2' ' A' ' 80' ' ' LEU . 8.0 mm -38.01 118.72 0.96 Allowed Pre-proline 0 N--CA 1.464 0.241 0 CA-C-N 115.855 -0.173 . . . . 0.0 111.321 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.4 Cg_exo -70.59 143.49 46.97 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.199 1.933 . . . . 0.0 111.782 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -47.04 -35.68 19.32 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 123.031 2.487 . . . . 0.0 112.341 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -56.2 -32.53 64.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.025 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -95.31 -14.64 23.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.671 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.613 ' OE1' HD21 ' A' ' 78' ' ' LEU . 17.8 mm-40 -91.79 121.41 33.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.016 0.436 . . . . 0.0 111.221 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HB3' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -114.37 147.09 39.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.297 179.317 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.489 ' HB3' HD12 ' A' ' 59' ' ' LEU . 3.4 mm? -117.56 112.95 21.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.692 0.282 . . . . 0.0 111.183 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.584 HD11 ' HG2' ' A' ' 58' ' ' GLN . 1.4 mp -114.99 123.35 70.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CB ' HD11 ' A' ' 59' ' ' LEU . 81.0 t90 -142.56 138.14 30.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.178 0.513 . . . . 0.0 110.964 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.507 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 60.11 55.08 3.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.798 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.559 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 55.84 8.09 1.96 Allowed Glycine 0 CA--C 1.529 0.915 0 CA-C-N 116.229 -0.442 . . . . 0.0 112.894 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -133.51 148.0 51.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.295 0.547 . . . . 0.0 111.26 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.584 ' HG2' HD11 ' A' ' 53' ' ' ILE . 5.5 mt-30 -76.39 122.6 24.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.849 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.495 HD11 ' CB ' ' A' ' 54' ' ' TRP . 94.8 mt -68.96 129.6 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.922 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.12 128.9 34.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.086 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.443 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -53.79 -20.12 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.727 -179.012 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.58 -3.85 90.52 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -77.72 159.91 28.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.408 . . . . 0.0 111.051 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.7 p -117.58 167.95 10.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.45 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.2 mt -75.82 -36.61 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.304 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.603 ' H ' ' HA ' ' A' ' 29' ' ' SER . 70.4 p -77.82 -10.57 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.134 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.66 -61.81 2.11 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -88.52 2.63 52.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.408 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER 77.42 12.91 2.0 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.132 0.491 . . . . 0.0 110.351 -179.626 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 mt -42.75 110.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.417 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -81.2 -145.38 0.05 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HA ' HG22 ' A' ' 12' ' ' ILE . 10.6 ptt180 -99.24 -40.7 7.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.175 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.77 45.12 0.49 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.415 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -113.33 143.65 44.08 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.679 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.2 m -98.81 101.93 13.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.292 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.504 HD22 HD12 ' A' ' 12' ' ' ILE . 3.8 mp -81.48 101.0 9.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.002 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -67.36 109.33 3.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.973 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.613 HD21 ' OE1' ' A' ' 50' ' ' GLN . 7.3 tt -110.57 144.97 38.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.273 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.481 ' HB ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -128.05 119.88 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.064 179.725 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.701 ' CD2' HG21 ' A' ' 45' ' ' ILE . 5.6 mt -75.17 131.75 40.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.366 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.071 179.38 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.596 ' HB2' ' NZ ' ' A' ' 99' ' ' LYS . . . . . . . . 0 C--O 1.233 0.226 0 CA-C-O 120.635 0.255 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -147.91 -111.67 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.639 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.723 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.6 tt0 -115.31 -40.46 3.43 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.332 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -106.19 -46.3 4.1 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.672 0.272 . . . . 0.0 110.889 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 7.0 pt-20 -61.29 -10.65 7.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.265 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.723 HD22 ' O ' ' A' ' 93' ' ' GLU . 1.1 pt? -70.12 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.954 0.406 . . . . 0.0 109.984 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.59 ' N ' HD23 ' A' ' 96' ' ' LEU . 7.4 mt -96.52 -51.87 10.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.994 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 99' ' ' LYS . 10.4 ptp180 -49.72 -43.15 47.44 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.184 -178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.669 ' CG ' ' H ' ' A' ' 100' ' ' ALA . 1.2 ptmt -74.9 -71.0 0.38 Allowed 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.967 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.669 ' H ' ' CG ' ' A' ' 99' ' ' LYS . . . -34.23 -30.6 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.499 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 26.1 mt -80.69 -50.91 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.696 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -83.91 -9.63 58.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.455 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 99' ' ' LYS . 11.7 tp -93.73 -73.21 0.58 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.3 t -99.14 -11.15 21.66 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.559 ' HG ' ' H ' ' A' ' 56' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.412 0 C-N-CA 120.564 -0.454 . . . . 0.0 112.128 -178.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.887 0.375 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.0 pt -76.21 179.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.648 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -127.03 135.39 50.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.745 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.2 145.37 48.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.103 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.39 115.33 20.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.5 p -64.75 162.91 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.333 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.586 HD11 HD21 ' A' ' 103' ' ' LEU . 11.2 tp -65.9 -11.11 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.579 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.9 p -87.32 -19.66 27.89 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.333 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.8 35.82 4.18 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.23 132.84 50.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.589 0.233 . . . . 0.0 110.461 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.75 125.54 34.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.268 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.509 HD13 HD11 ' A' ' 39' ' ' ILE . 31.0 mt -132.62 129.03 58.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.492 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 m -106.83 129.67 54.64 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -132.46 138.45 47.6 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.012 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -80.26 107.88 13.41 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.662 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.0 m -131.81 170.68 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.246 0.546 . . . . 0.0 111.596 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.624 ' O ' HD12 ' A' ' 65' ' ' LEU . 16.2 mt-10 -87.06 159.23 19.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.885 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 11.5 t -67.05 -17.15 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.507 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.617 ' HA ' ' H ' ' A' ' 66' ' ' SER . 95.0 p -118.36 3.53 11.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.518 -178.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.49 160.83 0.1 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.814 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.623 HG22 HG22 ' A' ' 64' ' ' THR . 28.4 p -106.83 171.58 7.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.816 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.1 mm -54.55 -51.95 45.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.263 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.67 -47.42 10.56 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.558 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -64.76 -39.76 94.16 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.067 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' THR . 84.3 t -63.59 -47.25 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.811 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HZ2' HE21 ' A' ' 50' ' ' GLN . 0.1 OUTLIER -59.11 -64.1 1.06 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.099 179.546 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t -49.34 -48.16 46.79 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.155 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -48.22 -34.79 10.74 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.016 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.509 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -70.88 -41.83 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.614 179.688 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 44' ' ' GLY . 2.3 pt20 -55.95 -30.42 61.67 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.767 0.317 . . . . 0.0 110.496 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -23.61 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -92.11 -42.85 9.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.354 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 45' ' ' ILE . 51.2 mt-10 -123.31 7.1 9.05 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 74.64 -31.89 1.02 Allowed Glycine 0 CA--C 1.528 0.878 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.595 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.45 ' H ' ' C ' ' A' ' 43' ' ' GLU . 37.3 mm -38.48 133.81 0.98 Allowed Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.139 0.176 . . . . 0.0 111.451 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.4 Cg_exo -69.78 130.66 19.7 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.311 2.007 . . . . 0.0 111.593 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -47.99 -35.36 25.1 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.8 2.334 . . . . 0.0 112.637 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.77 -43.12 63.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.425 ' C ' ' HE ' ' A' ' 81' ' ' ARG . 20.1 tt0 -65.06 -11.86 44.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.403 HE21 ' HZ2' ' A' ' 36' ' ' LYS . 8.1 mt-30 -89.57 -176.43 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.135 0.493 . . . . 0.0 111.077 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -167.64 146.74 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.096 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -129.26 121.92 28.58 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.141 -179.296 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.58 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.1 mp -115.72 126.06 73.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.825 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.573 ' HB2' HD11 ' A' ' 59' ' ' LEU . 69.2 t90 -137.7 132.88 33.52 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.018 0.437 . . . . 0.0 110.756 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.429 ' N ' ' CD1' ' A' ' 105' ' ' LEU . . . 59.03 59.03 2.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.734 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.838 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 55.14 6.96 0.98 Allowed Glycine 0 CA--C 1.53 0.976 0 CA-C-N 116.103 -0.498 . . . . 0.0 113.127 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -132.28 139.71 48.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 117.351 0.575 . . . . 0.0 111.048 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.57 ' H ' HE21 ' A' ' 58' ' ' GLN . 0.0 OUTLIER -71.56 123.11 21.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.007 179.404 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.624 HD22 ' HG2' ' A' ' 63' ' ' ARG . 54.9 mt -65.51 124.36 22.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 mp0 -79.4 137.7 37.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.001 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -41.79 -30.96 0.27 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.861 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.42 10.72 28.02 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.624 ' HG2' HD22 ' A' ' 59' ' ' LEU . 9.9 tpt180 -83.01 137.46 34.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 110.575 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.623 HG22 HG22 ' A' ' 31' ' ' THR . 10.8 p -111.96 165.83 11.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.771 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.9 mt -80.72 -40.19 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.884 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.617 ' H ' ' HA ' ' A' ' 29' ' ' SER . 17.0 p -70.32 -9.44 56.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.941 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -52.29 -61.6 2.17 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -94.35 0.94 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.21 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.7 m120 72.95 36.3 0.89 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.355 0.598 . . . . 0.0 109.657 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.4 mt -60.81 120.13 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.933 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.407 HE21 ' HG3' ' A' ' 72' ' ' ARG . 2.6 tt0 -79.83 -143.43 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.134 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.407 ' HG3' HE21 ' A' ' 71' ' ' GLN . 9.1 ptt180 -101.5 -29.42 12.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.729 0.3 . . . . 0.0 110.311 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.47 54.6 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 m -122.76 146.34 47.6 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.9 m -101.83 98.65 8.87 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.158 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.71 96.56 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.623 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.517 ' O ' HD23 ' A' ' 52' ' ' LEU . 54.1 m-70 -61.32 106.28 0.61 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.809 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tt -102.9 144.84 30.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.346 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.623 HG12 HD12 ' A' ' 96' ' ' LEU . 34.0 t -121.18 147.92 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.794 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.441 HD11 HG21 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -120.89 121.1 37.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.025 179.374 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.425 ' HE ' ' C ' ' A' ' 49' ' ' GLN . 9.8 ptp180 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.906 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.433 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.806 0.336 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -139.85 -124.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.831 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.567 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 10.9 tp10 -120.4 81.25 1.73 Allowed 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.742 ' H ' HD22 ' A' ' 96' ' ' LEU . 28.8 tt0 143.3 -65.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.351 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -61.98 -9.35 6.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.742 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.4 pt? -67.59 -21.6 65.41 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.905 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.497 ' H ' HD23 ' A' ' 96' ' ' LEU . 5.3 mt -96.04 -52.64 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.593 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -60.06 -36.92 78.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.515 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.572 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -80.15 -30.29 38.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.656 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.41 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -69.95 -22.36 63.18 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.681 HG23 ' HA2' ' A' ' 56' ' ' GLY . 44.6 mt -89.59 -29.52 5.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.194 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -93.54 -11.32 32.16 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.901 HD12 ' N ' ' A' ' 104' ' ' SER . 3.1 pp -95.27 -71.23 0.68 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 118.896 -1.122 . . . . 0.0 113.092 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.901 ' N ' HD12 ' A' ' 103' ' ' LEU . 15.0 t -100.85 -9.69 21.4 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.838 HD12 ' H ' ' A' ' 56' ' ' GLY . 3.1 mm? . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.653 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.856 0.36 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.99 -178.45 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.682 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -130.34 138.12 50.26 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.19 150.39 45.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.995 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -132.19 122.29 25.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.956 0.407 . . . . 0.0 111.407 -179.639 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -70.88 176.31 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.131 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.685 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.5 tm? -59.95 -48.93 79.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.115 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -61.52 -20.44 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.074 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.14 40.21 2.89 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -92.75 123.75 36.26 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.444 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.99 126.46 33.05 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.001 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.883 HD13 HD11 ' A' ' 39' ' ' ILE . 36.5 mt -133.18 128.85 56.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.575 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -103.95 127.51 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.217 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.711 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -132.14 139.85 48.56 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.126 0.489 . . . . 0.0 111.385 -179.488 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -81.06 107.26 13.72 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.587 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.66 -169.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.767 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.747 ' O ' HD12 ' A' ' 65' ' ' LEU . 14.0 mm-40 -117.42 157.31 26.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.511 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.1 p -62.01 -22.37 65.65 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.061 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.619 ' HA ' ' H ' ' A' ' 66' ' ' SER . 96.9 p -115.73 3.98 13.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.637 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.475 ' HB2' ' H ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -50.62 164.04 0.15 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.797 0.332 . . . . 0.0 110.829 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.1 p -97.65 156.76 16.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.2 mm -54.07 -43.29 58.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.087 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -47.83 -49.37 29.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.745 0.307 . . . . 0.0 110.461 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -63.46 -39.86 95.59 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.921 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.32 -48.79 86.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.507 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.531 ' HA ' HE22 ' A' ' 50' ' ' GLN . 44.7 mtmt -62.61 -60.35 3.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.134 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 m -47.07 -47.71 22.72 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.003 0.43 . . . . 0.0 109.874 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -49.26 -39.11 29.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.9 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.883 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -64.63 -40.73 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -58.97 -29.24 67.04 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.797 0.332 . . . . 0.0 110.561 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -73.77 -24.88 59.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 42' ' ' LYS . 6.8 mptt -90.31 -43.44 10.35 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.982 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' C ' ' H ' ' A' ' 45' ' ' ILE . 5.5 mt-10 -123.19 10.62 9.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.49 -38.45 0.71 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 121.048 -0.596 . . . . 0.0 111.92 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.664 HD12 HD21 ' A' ' 80' ' ' LEU . 1.9 mt -41.55 122.39 2.25 Favored Pre-proline 0 N--CA 1.464 0.261 0 CA-C-O 120.686 0.279 . . . . 0.0 111.602 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.18 139.94 86.41 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.485 2.123 . . . . 0.0 112.151 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.83 -33.87 52.75 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.834 2.356 . . . . 0.0 112.218 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -74.2 -40.01 62.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.18 -17.46 62.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.324 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.71 ' NE2' HD11 ' A' ' 78' ' ' LEU . 1.1 pp0? -123.09 173.07 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.424 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -151.41 169.99 20.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.526 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.627 ' HB3' HD12 ' A' ' 59' ' ' LEU . 4.2 mm? -113.55 114.03 25.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.162 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.5 mp -111.81 119.18 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.59 ' HB3' HD11 ' A' ' 59' ' ' LEU . 12.1 t-105 -143.61 137.32 28.25 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.12 0.486 . . . . 0.0 111.23 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.664 ' HA ' HD11 ' A' ' 105' ' ' LEU . . . 61.07 53.09 3.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.915 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.589 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 55.66 4.9 0.72 Allowed Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.692 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -125.42 131.92 52.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 117.106 0.453 . . . . 0.0 111.082 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -72.4 126.65 30.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.671 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' ' 52' ' ' LEU . 55.5 mt -79.38 145.02 33.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 110.662 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.99 139.05 31.03 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.713 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -55.33 -13.09 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.382 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.94 -8.01 60.77 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 159.14 27.13 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.925 0.362 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.69 159.55 20.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.454 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.0 mt -73.89 -39.6 63.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.328 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.619 ' H ' ' HA ' ' A' ' 29' ' ' SER . 15.1 t -70.59 -10.69 59.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.78 -24.35 66.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.932 0.396 . . . . 0.0 110.163 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.403 ' O ' ' CB ' ' A' ' 69' ' ' ASN . 22.6 t80 -125.78 -4.91 6.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.456 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER 78.31 30.75 0.4 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.23 0.538 . . . . 0.0 109.66 -179.102 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 mt -63.37 121.16 11.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -118.16 -172.1 2.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.678 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.442 ' C ' ' H ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -54.15 -50.57 66.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.467 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -71.98 37.41 0.07 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.406 -179.37 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.442 ' H ' ' C ' ' A' ' 72' ' ' ARG . 53.9 m -113.25 134.1 54.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.977 0.417 . . . . 0.0 110.589 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.9 m -98.83 103.92 15.92 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.004 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mp -86.27 155.27 20.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.609 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.4 ' O ' HD13 ' A' ' 52' ' ' LEU . 36.7 t-80 -121.31 113.51 20.02 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.71 HD11 ' NE2' ' A' ' 50' ' ' GLN . 4.7 tt -102.61 137.56 40.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 t -98.34 124.85 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.857 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.664 HD21 HD12 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -98.26 122.74 41.8 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.815 -179.44 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 . . . . . 0 N--CA 1.463 0.177 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.807 179.71 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -143.8 28.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.321 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 59.63 66.32 1.02 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.64 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.711 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.6 mt-10 162.16 -80.55 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.582 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -60.83 -10.19 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.556 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.711 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.2 pt? -58.12 -17.47 18.52 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.532 ' N ' HD23 ' A' ' 96' ' ' LEU . 4.1 mt -95.29 -55.62 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.612 0.244 . . . . 0.0 110.868 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -62.73 -34.27 76.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.926 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -73.67 -35.0 65.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.829 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.413 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -73.02 -25.51 60.99 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 109.878 179.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.526 HG23 ' HA2' ' A' ' 56' ' ' GLY . 39.9 mt -76.68 -31.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -94.32 -12.23 28.44 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.951 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 1.2 mm? -93.17 -73.46 0.56 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -177.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.4 t -94.56 -11.61 29.14 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.664 HD11 ' HA ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 120.708 0.29 . . . . 0.0 110.628 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.461 0.124 0 CA-C-O 120.851 0.358 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.461 HG12 HG22 ' A' ' 26' ' ' VAL . 22.8 pt -141.86 167.09 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.07 179.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -112.74 125.07 53.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.17 130.19 56.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.868 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -116.64 117.46 29.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.3 p -66.27 163.93 16.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.387 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.705 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -55.45 -46.0 76.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.982 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.6 p -60.56 -22.27 63.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.71 47.1 1.68 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -105.15 134.94 47.42 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.63 118.23 26.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.752 0.311 . . . . 0.0 110.689 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.404 HD13 HD11 ' A' ' 39' ' ' ILE . 57.8 mt -132.88 132.66 59.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.519 ' C ' HD23 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -110.6 135.31 51.44 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -132.75 141.61 48.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.843 179.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -83.51 99.86 10.4 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.864 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG22 HG12 ' A' ' 12' ' ' ILE . 18.0 m -128.42 154.78 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.194 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.727 ' O ' HD12 ' A' ' 65' ' ' LEU . 19.7 mt-10 -76.82 159.63 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.786 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 1.8 m -65.2 -22.18 66.86 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.57 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.601 ' HA ' ' H ' ' A' ' 66' ' ' SER . 96.7 p -114.73 3.98 14.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.315 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.11 159.73 0.41 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.786 0.327 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.2 p -93.88 154.44 17.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.248 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 32' ' ' ILE . 27.7 mm -50.23 -45.77 24.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -48.9 -42.81 38.16 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.558 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.04 -40.11 90.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.044 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.76 -50.45 80.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.82 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -59.54 -59.67 5.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.077 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.7 p -48.36 -46.74 37.14 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.254 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -50.26 -37.33 35.38 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.404 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -68.12 -42.54 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 179.665 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.7 OUTLIER -57.95 -27.46 63.43 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.76 -179.596 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 3.5 t70 -72.65 -25.73 61.39 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -92.36 -40.99 10.59 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.03 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -115.17 3.46 14.34 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.83 -43.59 1.68 Allowed Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.418 ' H ' HG12 ' A' ' 45' ' ' ILE . 7.2 mm -41.56 118.72 1.87 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.5 0.19 . . . . 0.0 111.34 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -51.73 142.54 40.89 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.514 2.143 . . . . 0.0 112.088 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -50.81 -40.26 57.25 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 122.94 2.427 . . . . 0.0 112.343 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -66.02 -40.85 91.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -16.6 45.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.919 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -116.89 167.15 11.38 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.699 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.424 ' HD2' ' HE ' ' A' ' 81' ' ' ARG . 3.8 mtp85 -138.18 166.99 22.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.7 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.553 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -123.26 112.25 17.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 110.491 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.549 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.8 mp -111.83 122.07 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.483 ' CB ' HD11 ' A' ' 59' ' ' LEU . 77.8 t90 -137.32 135.59 37.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.959 0.409 . . . . 0.0 110.862 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 57.21 54.57 6.66 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.332 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.612 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 55.71 7.11 1.39 Allowed Glycine 0 CA--C 1.529 0.917 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.755 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -123.47 140.17 53.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 117.272 0.536 . . . . 0.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.85 124.2 27.37 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.94 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 52' ' ' LEU . 34.5 mt -78.91 137.37 37.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 110.436 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -90.92 141.51 28.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.693 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -19.92 2.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.261 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.51 -7.93 68.65 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.894 -0.483 . . . . 0.0 111.894 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -73.74 160.62 31.26 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.845 0.355 . . . . 0.0 110.942 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.0 p -118.75 164.58 15.17 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.402 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 27' ' ' GLU . 6.3 mt -76.72 -36.32 57.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.567 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.601 ' H ' ' HA ' ' A' ' 29' ' ' SER . 49.1 p -78.05 -10.43 59.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.494 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -53.3 -62.91 1.35 Allowed 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.03 6.1 43.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.384 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.8 34.92 1.46 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.6 mm -51.24 99.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.012 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.661 HE21 ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -67.29 156.1 37.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.847 -179.524 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.44 ' CD ' ' H ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -52.28 -48.82 65.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.655 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -80.13 55.37 2.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.0 t -110.63 138.97 46.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.503 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.5 m -91.72 99.04 12.0 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.039 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 76' ' ' LEU . 4.2 mm? -87.22 151.36 23.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.392 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.499 ' CG ' HD21 ' A' ' 105' ' ' LEU . 80.6 m-70 -121.76 117.05 25.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.928 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.433 HD12 ' CD2' ' A' ' 52' ' ' LEU . 5.0 tt -108.2 145.81 33.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.22 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' HD12 ' A' ' 96' ' ' LEU . 29.8 m -115.24 134.22 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.341 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mt -104.24 131.12 51.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.754 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.424 ' HE ' ' HD2' ' A' ' 51' ' ' ARG . 43.0 mtt180 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.324 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.64 20.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.456 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 56.23 60.0 3.4 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.591 ' O ' HD23 ' A' ' 96' ' ' LEU . 23.9 tt0 169.03 -80.48 0.0 OUTLIER 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.021 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 97' ' ' ILE . 13.9 pt-20 -55.42 -24.12 28.69 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.473 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 94' ' ' GLU . 1.4 pt? -42.7 -19.35 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.422 ' N ' HD23 ' A' ' 96' ' ' LEU . 3.4 mt -90.48 -58.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.642 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -61.66 -32.4 72.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.125 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.603 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -81.08 -28.92 35.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.543 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -70.8 -22.36 62.37 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.612 HG23 ' HA2' ' A' ' 56' ' ' GLY . 19.8 mt -88.25 -30.71 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.259 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -92.83 -11.75 32.88 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -177.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.87 HD12 ' N ' ' A' ' 104' ' ' SER . 3.2 pp -96.2 -70.02 0.73 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.122 -1.031 . . . . 0.0 113.136 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.87 ' N ' HD12 ' A' ' 103' ' ' LEU . 26.9 m -100.41 -10.46 21.15 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.599 HD12 ' H ' ' A' ' 56' ' ' GLY . 3.9 mm? . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.479 HE21 ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.739 0.304 . . . . 0.0 111.296 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.451 HG23 ' CG2' ' A' ' 26' ' ' VAL . 30.8 pt -75.75 178.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -122.12 131.53 54.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.928 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.23 135.67 54.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.405 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -113.0 155.23 25.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.42 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.5 p -112.81 168.67 9.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.532 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 17' ' ' LEU . 9.7 tp -70.53 -3.92 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.298 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.5 p -104.99 -17.96 14.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.348 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.42 45.35 1.84 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 26.2 tptp -105.65 122.17 45.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -94.01 110.69 22.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.236 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.943 HD13 HD11 ' A' ' 39' ' ' ILE . 2.0 mp -115.99 133.31 62.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.0 m -106.27 127.81 53.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.118 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.401 HD12 HG11 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -132.03 135.67 46.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.748 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.44 96.35 6.03 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.706 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.451 ' CG2' HG23 ' A' ' 12' ' ' ILE . 33.9 m -124.01 177.25 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.256 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.685 ' O ' HD12 ' A' ' 65' ' ' LEU . 11.1 mt-10 -94.98 154.54 17.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.688 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -62.43 -18.67 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.504 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.643 ' HA ' ' H ' ' A' ' 66' ' ' SER . 11.9 t -116.5 4.25 13.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.327 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -48.34 161.46 0.12 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.719 0.295 . . . . 0.0 110.953 -179.763 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.1 p -94.4 157.28 16.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.796 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 28.8 mm -52.33 -47.96 45.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.171 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -47.19 -43.61 21.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.213 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -42.34 95.05 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.84 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -58.86 -49.76 81.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.566 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -62.45 -60.54 3.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.196 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.7 p -48.06 -52.49 19.94 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.533 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -51.21 -32.85 25.3 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.226 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.943 HD11 HD13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -74.17 -43.5 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.807 179.767 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.492 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -59.56 -29.37 67.88 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.531 -179.138 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.492 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 25.8 t70 -71.17 -28.49 64.29 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -92.76 -36.23 13.0 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.155 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.557 ' OE1' HD13 ' A' ' 39' ' ' ILE . 8.6 mp0 -115.05 1.8 14.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.42 -45.8 1.84 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.415 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 6.2 mm -37.49 111.89 0.57 Allowed Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 122.086 0.154 . . . . 0.0 111.386 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 2.8 Cg_endo -50.52 137.32 40.61 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 122.51 2.14 . . . . 0.0 111.921 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.437 ' HD3' ' CB ' ' A' ' 40' ' ' GLN . 2.5 Cg_endo -51.49 -44.27 44.83 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.732 2.288 . . . . 0.0 112.676 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.67 -18.2 65.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.352 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -84.29 -5.61 59.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.803 ' NE2' HD21 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -123.66 164.96 18.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.965 0.412 . . . . 0.0 111.226 -178.691 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.785 ' O ' HD12 ' A' ' 78' ' ' LEU . 8.4 mtp85 -137.95 162.43 34.09 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -117.94 109.89 17.05 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.58 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.8 mp -111.28 117.39 54.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.677 ' HB3' HD11 ' A' ' 59' ' ' LEU . 62.1 t-105 -130.53 135.08 47.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.966 0.412 . . . . 0.0 111.057 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 58.94 57.34 3.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.272 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.523 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 51.89 11.54 0.96 Allowed Glycine 0 CA--C 1.529 0.919 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.854 178.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -127.75 141.36 51.61 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 117.226 0.513 . . . . 0.0 111.116 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -77.34 126.59 31.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.988 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' ' 54' ' ' TRP . 36.3 mt -86.13 146.29 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.095 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -88.74 133.28 34.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.085 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 6.2 p-10 -49.83 -21.27 1.07 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.918 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.16 -0.51 88.72 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 121.292 -0.48 . . . . 0.0 111.978 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 mtt85 -74.81 164.06 26.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.841 0.353 . . . . 0.0 110.992 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.9 p -115.48 162.56 17.01 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.525 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.9 mt -71.14 -37.82 72.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.871 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.643 ' H ' ' HA ' ' A' ' 29' ' ' SER . 44.5 t -72.43 -10.39 59.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -56.2 -61.51 2.35 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -86.15 -0.85 56.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.282 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 75.8 45.61 0.12 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.295 0.569 . . . . 0.0 109.757 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.2 mt -82.89 143.77 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.705 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -137.37 179.86 6.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.343 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -52.51 -48.62 65.9 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.901 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -74.63 37.89 0.11 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.346 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.1 t -118.18 143.72 46.29 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.817 0.341 . . . . 0.0 110.639 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -103.44 104.38 14.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.148 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.6 mp -85.34 157.26 20.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.902 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.557 ' O ' HD13 ' A' ' 52' ' ' LEU . 8.5 m80 -117.58 107.81 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.676 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.803 HD21 ' NE2' ' A' ' 50' ' ' GLN . 24.8 tp -101.81 135.03 44.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.209 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.453 HG11 HD13 ' A' ' 96' ' ' LEU . 57.2 t -108.56 109.64 29.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.27 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.95 101.73 3.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.345 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 4.4 ttt180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.599 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . . . . . . . . 0 C--O 1.233 0.19 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -153.77 51.97 0.69 Allowed 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.297 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.563 ' HA ' HD21 ' A' ' 96' ' ' LEU . 1.5 tm-20 43.76 71.16 0.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.49 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 19.4 tt0 149.62 -74.22 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.739 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.29 -9.73 19.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.523 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 97' ' ' ILE . 0.4 OUTLIER -79.71 -13.04 59.74 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.565 -179.764 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.63 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.3 mt -94.41 -49.04 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.273 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -65.19 -34.97 79.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.705 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.459 ' CG ' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -77.71 -27.68 50.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.412 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.496 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -80.03 -34.47 38.33 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.529 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 26.3 mt -67.43 -37.34 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.457 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -93.46 -27.18 16.85 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.613 ' HG ' ' N ' ' A' ' 104' ' ' SER . 0.3 OUTLIER -97.35 -52.63 3.74 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.842 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.613 ' N ' ' HG ' ' A' ' 103' ' ' LEU . 75.8 p -97.02 -14.33 21.7 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.529 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 1.9 mm? . . . . . 0 C--N 1.321 -0.655 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.522 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.434 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 7.4 pt20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.759 0.314 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.538 HG23 ' CG2' ' A' ' 26' ' ' VAL . 39.1 pt -74.67 174.02 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -121.92 136.89 54.95 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.73 143.93 49.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.525 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.3 tptm -132.87 125.85 30.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.521 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 64.5 p -71.91 162.46 29.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.017 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -53.29 -47.17 69.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.306 179.604 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.4 p -63.66 -17.07 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.374 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.47 50.98 1.16 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.991 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 28.2 tptp -106.7 114.43 28.53 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -82.73 116.36 22.05 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.692 0.282 . . . . 0.0 110.975 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.8 mt -133.09 128.09 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.584 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 m -104.32 133.49 49.13 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.277 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.439 HD11 HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -132.47 136.65 46.85 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.967 0.413 . . . . 0.0 111.487 -179.594 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.521 ' H ' ' NZ ' ' A' ' 38' ' ' LYS . 1.7 mm-40 -80.58 98.19 7.53 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.493 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.538 ' CG2' HG23 ' A' ' 12' ' ' ILE . 31.8 m -122.15 154.12 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.97 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.694 ' O ' HD12 ' A' ' 65' ' ' LEU . 5.8 mt-10 -68.27 153.37 43.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.18 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.6 t -61.45 -19.15 61.67 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.725 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.665 ' HA ' ' H ' ' A' ' 66' ' ' SER . 6.1 t -118.25 4.65 11.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 160.46 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 111.258 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.496 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.9 p -101.45 162.56 12.81 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.361 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 28.7 mm -57.16 -49.1 80.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.643 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -46.71 -47.1 20.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.717 0.294 . . . . 0.0 110.535 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -63.74 -37.85 88.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.843 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 31' ' ' THR . 86.0 t -61.96 -44.11 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.224 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.43 -64.24 1.01 Allowed 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.952 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.419 ' N ' ' HB3' ' A' ' 47' ' ' PRO . 18.7 p -49.61 -50.62 42.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.461 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.521 ' NZ ' ' H ' ' A' ' 25' ' ' GLU . 17.6 tptp -51.1 -30.32 15.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.027 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.548 ' CG2' ' NE2' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -75.47 -40.13 41.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.309 179.468 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' GLY . 4.3 pt20 -56.95 -27.86 61.57 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.882 0.372 . . . . 0.0 110.177 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.68 -26.11 65.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -92.57 -39.49 11.32 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.08 -0.964 . . . . 0.0 112.326 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.459 ' C ' ' H ' ' A' ' 45' ' ' ILE . 10.0 mm-40 -117.28 3.86 12.6 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.45 -37.61 0.7 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.555 ' HB ' ' NE2' ' A' ' 50' ' ' GLN . 4.8 mm -46.5 122.14 6.7 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -50.33 139.17 36.96 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.872 2.381 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 37' ' ' SER . 2.4 Cg_endo -48.59 -41.16 37.67 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 123.379 2.719 . . . . 0.0 112.887 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -69.45 -14.73 63.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.971 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.57 -15.46 37.34 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.415 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.555 ' NE2' ' HB ' ' A' ' 45' ' ' ILE . 5.8 mt-30 -105.3 138.57 41.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.486 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.518 ' HE ' ' C ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -117.54 145.17 44.43 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.462 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.498 ' HB3' HD12 ' A' ' 59' ' ' LEU . 6.5 mp -119.55 123.07 43.06 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.592 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.509 HG21 HG13 ' A' ' 101' ' ' ILE . 3.7 mp -113.03 122.06 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.091 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.448 ' HB2' HD11 ' A' ' 59' ' ' LEU . 32.4 t-105 -126.94 127.16 44.42 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.855 0.36 . . . . 0.0 110.206 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 56.39 60.48 3.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.494 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.633 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 55.49 6.97 1.2 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.865 178.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -124.29 138.1 54.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.237 0.518 . . . . 0.0 111.109 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.77 122.77 23.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.968 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 52' ' ' LEU . 67.5 mt -69.06 126.75 30.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -85.18 141.59 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.343 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.465 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -50.19 -16.29 0.3 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.15 -178.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.84 -1.0 68.17 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.902 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -75.84 148.28 38.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.82 0.343 . . . . 0.0 111.0 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -110.96 167.88 9.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.1 mt -80.85 -46.18 15.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.473 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.665 ' H ' ' HA ' ' A' ' 29' ' ' SER . 23.0 t -68.76 -9.49 51.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.571 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -50.95 -61.78 2.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.958 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -103.72 -2.69 26.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.425 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.8 m120 68.21 45.03 1.31 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.259 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.478 ' CG2' HD22 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -53.23 -17.99 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.713 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 58.4 -159.83 0.27 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.62 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 5.5 ptm180 -101.51 -38.75 7.84 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.753 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.85 58.4 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 0.0 110.717 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.4 t -131.56 152.92 50.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.685 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.57 103.93 14.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.329 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.446 HD12 HD23 ' A' ' 52' ' ' LEU . 3.0 mm? -81.85 105.02 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.876 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.9 109.62 4.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.748 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 50' ' ' GLN . 6.8 tt -117.92 152.17 35.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.434 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.543 ' N ' HD23 ' A' ' 78' ' ' LEU . 18.5 m -130.15 133.66 63.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.8 mt -91.91 125.38 36.59 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.784 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.409 HH12 ' CD1' ' A' ' 97' ' ' ILE . 4.2 mtp85 . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.415 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.12 -65.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.43 ' HA ' HD21 ' A' ' 96' ' ' LEU . 18.8 tt0 -166.5 -40.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.435 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -111.92 -47.06 3.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.454 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.83 -10.8 10.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.93 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.709 HD12 ' N ' ' A' ' 97' ' ' ILE . 0.8 OUTLIER -75.79 -9.66 58.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.507 179.558 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.709 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.0 mt -92.5 -58.45 3.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.597 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -58.48 -34.7 71.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.603 ' O ' HD23 ' A' ' 103' ' ' LEU . 2.3 pttp -80.23 -28.82 38.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.317 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -69.4 -19.99 63.81 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.633 HG23 ' HA2' ' A' ' 56' ' ' GLY . 21.2 mt -88.85 -33.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.093 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.67 -12.36 34.35 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.872 HD12 ' N ' ' A' ' 104' ' ' SER . 3.0 pp -96.27 -68.55 0.79 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 119.261 -0.976 . . . . 0.0 113.055 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.872 ' N ' HD12 ' A' ' 103' ' ' LEU . 48.5 t -99.65 -10.9 21.42 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -177.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.045 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.599 HE21 HH12 ' A' ' 72' ' ' ARG . 11.4 pt20 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.885 0.374 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.416 HD11 HD11 ' A' ' 24' ' ' LEU . 44.8 pt -75.15 174.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -122.89 132.22 54.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.868 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.66 134.06 55.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.805 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -130.6 117.06 18.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.014 0.435 . . . . 0.0 110.913 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.2 p -73.75 172.24 11.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.39 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 100' ' ' ALA . 13.2 tp -70.88 -9.85 58.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.3 p -84.71 -20.6 30.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.524 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.53 27.51 7.56 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 3.7 tmtm? -96.32 121.73 38.43 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -92.95 131.12 38.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 0.0 110.651 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 mp -132.74 129.25 58.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.525 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -106.62 120.6 42.39 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.287 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -126.71 140.69 52.2 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 -179.594 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -86.16 113.78 22.48 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.455 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 m -138.95 155.1 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.053 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.634 ' O ' HD12 ' A' ' 65' ' ' LEU . 4.7 mm-40 -68.68 161.23 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.212 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 18.2 t -64.43 -16.89 63.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.611 ' HA ' ' H ' ' A' ' 66' ' ' SER . 2.9 t -117.6 4.74 12.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.558 -178.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.48 157.0 0.07 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 111.002 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 64' ' ' THR . 13.2 p -106.66 164.71 11.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.975 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 38.1 mm -50.97 -53.2 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.889 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -42.34 -50.56 5.04 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.979 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -63.86 -36.86 85.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.519 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.12 -50.58 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.062 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -58.78 -61.32 2.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.229 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 40' ' ' GLN . 35.0 p -47.82 -47.62 31.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.457 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -52.1 -33.42 39.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.103 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 40' ' ' GLN . 0.3 OUTLIER -73.49 -47.58 44.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.115 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.504 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.28 -30.06 61.98 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -178.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.504 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 17.3 t70 -74.59 -27.56 60.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.186 0.517 . . . . 0.0 109.678 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -92.32 -41.54 10.31 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.228 -0.897 . . . . 0.0 112.364 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.478 ' OE1' HD13 ' A' ' 39' ' ' ILE . 7.6 mp0 -115.76 4.06 13.94 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' ILE . . . 78.66 -47.03 2.96 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.738 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.777 HG21 HD22 ' A' ' 80' ' ' LEU . 8.3 mm -31.57 129.15 0.3 Allowed Pre-proline 0 N--CA 1.468 0.439 0 C-N-CA 122.356 0.262 . . . . 0.0 111.292 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.2 Cg_exo -72.63 136.47 25.83 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.493 2.128 . . . . 0.0 112.201 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' A' ' 40' ' ' GLN . 2.7 Cg_endo -54.02 -42.06 70.03 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -62.58 -7.39 4.63 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.426 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -112.01 -5.68 14.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.8 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.412 ' HB3' HD21 ' A' ' 78' ' ' LEU . 8.5 mt-30 -96.89 131.98 43.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.666 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.62 ' HB3' HG23 ' A' ' 79' ' ' VAL . 3.6 tpt180 -112.69 139.37 48.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.502 HD22 ' C ' ' A' ' 51' ' ' ARG . 4.6 mm? -111.71 113.72 26.27 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.668 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.452 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.5 mp -115.17 124.15 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.529 ' HB3' HD11 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -142.11 135.9 29.54 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.131 0.491 . . . . 0.0 110.749 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.5 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 59.06 55.2 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.586 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.739 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 56.92 5.43 1.34 Allowed Glycine 0 CA--C 1.528 0.886 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.722 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -128.19 146.5 50.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.21 0.505 . . . . 0.0 111.278 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -77.96 123.23 26.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.893 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 54' ' ' TRP . 54.5 mt -72.77 135.74 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.104 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -90.89 137.24 32.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.717 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.467 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 13.1 t70 -45.69 -28.05 0.93 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.945 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.3 2.62 61.29 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.748 HH22 HD12 ' A' ' 70' ' ' ILE . 3.9 tmt_? -78.42 147.75 33.89 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 31' ' ' THR . 2.8 p -117.54 159.77 22.32 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.749 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.1 mt -68.93 -42.29 76.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.599 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.611 ' H ' ' HA ' ' A' ' 29' ' ' SER . 33.6 t -69.25 -10.78 59.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.161 -179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -58.12 -61.03 2.85 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -86.57 -1.86 58.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.494 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 70.52 23.16 4.88 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.134 0.492 . . . . 0.0 109.841 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.748 HD12 HH22 ' A' ' 63' ' ' ARG . 4.9 mt -53.47 132.34 16.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.557 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.5 -146.98 0.15 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.977 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.599 HH12 HE21 ' A' ' 11' ' ' GLN . 4.5 ptm180 -100.15 -38.42 8.53 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.685 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -76.17 7.58 4.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.508 ' CB ' HG23 ' A' ' 70' ' ' ILE . 74.3 p -66.74 139.72 57.83 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.5 m -101.87 103.03 13.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.101 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.482 HD21 HD13 ' A' ' 70' ' ' ILE . 3.7 mm? -90.4 157.98 17.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.438 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.95 115.95 24.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.845 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.484 HD12 HD21 ' A' ' 52' ' ' LEU . 3.8 tt -113.95 89.85 3.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.62 HG23 ' HB3' ' A' ' 51' ' ' ARG . 25.8 m -79.56 133.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.777 HD22 HG21 ' A' ' 45' ' ' ILE . 57.4 mt -94.42 117.77 30.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.266 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.82 179.345 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -93.88 -55.0 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.298 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.677 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.1 tm-20 -178.88 -44.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.186 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.55 -47.26 3.66 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.793 0.33 . . . . 0.0 110.381 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -56.08 -24.95 43.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.001 -179.361 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.689 HD23 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -58.41 -17.1 17.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.689 ' N ' HD23 ' A' ' 96' ' ' LEU . 2.3 mt -96.24 -50.82 11.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 8.7 ptm180 -55.13 -43.42 74.14 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.729 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 103' ' ' LEU . 33.1 mtmm -68.33 -73.73 0.14 Allowed 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 120.56 -0.456 . . . . 0.0 109.975 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.596 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -33.96 -29.14 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.739 HG23 ' HA2' ' A' ' 56' ' ' GLY . 25.2 mt -76.06 -54.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.018 0.437 . . . . 0.0 110.344 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -83.42 -10.21 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.087 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 99' ' ' LYS . 65.1 tp -92.76 -72.15 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.33 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.4 m -97.2 -19.65 18.46 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.5 HD11 ' H ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.488 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.768 0.318 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.539 HD11 HD11 ' A' ' 24' ' ' LEU . 22.0 pt -144.78 168.66 9.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.043 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -112.3 117.64 33.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.215 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.15 131.08 55.99 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.9 ttpm? -124.87 117.14 23.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.119 0.485 . . . . 0.0 111.485 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 70.2 p -70.74 166.29 21.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.418 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.608 HD23 ' HB2' ' A' ' 91' ' ' ALA . 19.4 tp -64.59 -21.28 66.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.495 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p -74.35 -17.32 60.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.409 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.54 28.57 8.89 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 1.8 tmmm? -100.13 131.53 46.02 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 m -92.06 132.58 36.46 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.636 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.818 HD13 HD11 ' A' ' 39' ' ' ILE . 16.9 mt -133.5 129.56 56.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.986 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.7 m -106.46 126.58 52.43 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.155 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD11 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -133.02 141.81 48.47 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.217 -179.468 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.432 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 1.7 mp0 -81.56 112.4 18.75 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.605 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.92 -173.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.294 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.623 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.2 mp0 -107.31 161.21 15.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.845 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.2 m -64.7 -20.45 66.33 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.062 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.644 ' HA ' ' H ' ' A' ' 66' ' ' SER . 84.2 p -117.87 4.14 12.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.491 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.17 156.01 0.11 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.704 0.288 . . . . 0.0 110.659 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -98.19 160.28 14.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.537 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.416 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 23.8 mm -48.35 -50.82 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.795 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -43.28 15.95 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.737 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -66.63 -37.49 84.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.261 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.82 -49.9 77.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.077 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -57.65 -62.55 1.71 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.257 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 p -45.18 -48.83 12.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.505 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -36.3 33.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.182 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.818 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -68.6 -43.96 83.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.545 179.767 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.44 -29.3 58.38 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.487 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.35 -23.42 60.22 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -92.38 -42.61 9.69 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.236 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -120.83 5.98 10.45 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.77 -41.31 1.91 Allowed Glycine 0 CA--C 1.529 0.961 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.895 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.466 HG21 HD22 ' A' ' 80' ' ' LEU . 9.9 mm -35.51 123.99 0.63 Allowed Pre-proline 0 N--CA 1.468 0.446 0 N-CA-C 111.593 0.219 . . . . 0.0 111.593 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.3 Cg_exo -70.84 135.21 27.37 Favored 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 122.471 2.114 . . . . 0.0 111.908 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.75 -39.44 67.13 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 123.033 2.489 . . . . 0.0 112.504 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.2 -2.5 2.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 112.179 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -115.94 2.18 13.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.637 HE22 ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -127.84 171.11 12.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.157 0.504 . . . . 0.0 111.338 -178.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.609 ' NE ' HD11 ' A' ' 97' ' ' ILE . 1.6 ptm85 -150.89 176.72 10.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.644 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.749 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -134.12 128.27 33.79 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.291 -179.48 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.564 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -113.95 128.36 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -137.59 131.49 31.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.157 0.504 . . . . 0.0 111.106 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.467 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 59.4 59.6 2.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.733 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.541 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 52.88 9.36 0.78 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-N 116.256 -0.429 . . . . 0.0 113.08 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -133.21 141.76 48.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.384 0.592 . . . . 0.0 110.957 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -70.21 128.79 37.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.902 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.749 HD12 ' HB3' ' A' ' 52' ' ' LEU . 53.6 mt -67.12 -148.13 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.922 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' H ' ' HB3' ' A' ' 59' ' ' LEU . 25.1 tt0 -174.4 140.4 0.64 Allowed 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.479 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 22.5 m-20 -48.48 -23.61 1.02 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.498 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.28 -0.3 89.46 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.741 -0.543 . . . . 0.0 111.741 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -86.81 146.13 26.35 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.4 p -114.85 162.66 16.6 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.12 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.5 mt -69.89 -36.08 75.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.644 ' H ' ' HA ' ' A' ' 29' ' ' SER . 84.3 p -78.55 -9.97 59.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.789 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -55.66 -61.84 2.08 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.052 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.0 3.65 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.231 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 m120 70.19 33.27 2.68 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.216 0.531 . . . . 0.0 109.924 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.78 107.3 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.326 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -72.42 157.33 37.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.509 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' A' ' 72' ' ' ARG . 1.8 ptt-85 -49.28 -42.97 42.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.285 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.37 62.89 6.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.654 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.7 m -122.56 151.43 41.41 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.8 m -98.26 97.65 9.02 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.644 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -84.97 155.76 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.801 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.49 ' O ' HD23 ' A' ' 52' ' ' LEU . 59.1 m-70 -120.43 108.08 13.68 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.514 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 16' ' ' THR . 3.8 tt -102.58 140.19 37.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.005 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.757 HG11 HD13 ' A' ' 96' ' ' LEU . 73.3 t -108.3 136.43 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.272 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.576 HD23 ' HB3' ' A' ' 50' ' ' GLN . 14.9 mt -119.33 117.47 28.64 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.148 179.606 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.608 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.779 0.323 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.86 -43.31 1.23 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.172 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.565 ' O ' HD11 ' A' ' 96' ' ' LEU . 3.4 tt0 169.13 -51.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.757 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -102.06 -49.97 3.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.48 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.2 -39.89 73.16 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.188 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.827 HD12 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -40.67 -24.56 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.32 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.827 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.1 mt -77.51 -61.75 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.18 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.573 ' HA ' HD12 ' A' ' 101' ' ' ILE . 6.3 ptp180 -66.8 -25.57 66.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.291 0.567 . . . . 0.0 109.631 178.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 35.9 tptt -73.6 -40.77 63.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.638 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.416 ' HB2' HD22 ' A' ' 17' ' ' LEU . . . -72.88 -23.41 60.73 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.967 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 98' ' ' ARG . 38.9 mt -75.73 -36.2 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.646 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.64 -10.86 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.629 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 1.2 mm? -92.34 -72.85 0.57 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.966 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.0 m -98.73 -14.73 19.63 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.993 -178.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' A' ' 72' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.149 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.436 HD11 ' CD1' ' A' ' 24' ' ' LEU . 12.2 pt -145.15 164.56 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.804 0.335 . . . . 0.0 110.32 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -109.53 121.84 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.051 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.35 117.25 32.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.708 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.6 152.48 21.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.061 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 49.2 p -112.66 159.93 18.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.429 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -52.49 -47.17 66.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.835 179.58 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.5 p -61.52 -20.09 62.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.796 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.36 47.2 2.05 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.09 130.55 53.97 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 m -92.31 125.54 37.02 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.692 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.1 mt -132.73 133.85 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.623 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.493 ' C ' HD23 ' A' ' 24' ' ' LEU . 9.4 m -110.22 128.38 55.47 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.566 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.493 HD23 ' C ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -133.61 141.79 47.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.483 179.589 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.58 94.62 9.09 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.402 HG22 HG12 ' A' ' 12' ' ' ILE . 2.1 m -129.11 160.09 40.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.635 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.711 ' O ' HD12 ' A' ' 65' ' ' LEU . 22.5 mt-10 -73.25 150.43 42.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 29.5 m -66.17 -13.16 59.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.748 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.637 ' HA ' ' H ' ' A' ' 66' ' ' SER . 82.7 p -119.81 3.42 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.765 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.38 172.12 0.07 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.4 p -99.09 162.13 13.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.206 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.5 mm -57.37 -37.54 57.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.79 -47.09 64.36 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.141 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.66 -44.13 97.03 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.668 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -59.4 -45.93 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.527 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' C ' ' HB3' ' A' ' 47' ' ' PRO . 47.3 mttt -62.61 -59.21 5.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.074 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.8 p -48.47 -45.29 36.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.938 0.399 . . . . 0.0 110.071 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -30.06 64.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.848 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -65.84 -48.13 83.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.494 179.53 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -67.39 -18.46 65.13 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.275 -179.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.09 -38.07 53.07 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -88.28 -36.47 16.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.012 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 45' ' ' ILE . 7.9 mp0 -115.34 8.28 15.35 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 66.64 -51.26 0.21 Allowed Glycine 0 CA--C 1.53 0.991 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.955 178.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.668 HG21 HD21 ' A' ' 80' ' ' LEU . 83.7 mt -38.2 127.37 1.04 Allowed Pre-proline 0 CA--C 1.532 0.288 0 C-N-CA 122.351 0.26 . . . . 0.0 111.187 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.491 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 2.6 Cg_endo -44.6 142.47 4.73 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 123.056 2.504 . . . . 0.0 112.544 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 3.1 Cg_exo -69.72 -39.62 6.36 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.652 2.235 . . . . 0.0 111.925 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.23 -33.73 75.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.71 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.468 HE21 ' HB2' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -65.03 -10.72 32.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.832 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.487 HE21 HD11 ' A' ' 78' ' ' LEU . 11.7 mt-30 -116.18 161.87 18.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.913 0.387 . . . . 0.0 110.699 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.672 ' HE ' ' HE ' ' A' ' 81' ' ' ARG . 4.9 mtt-85 -137.44 162.33 33.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.54 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.685 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -121.98 112.0 17.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.965 0.412 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.543 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.6 mp -114.92 123.77 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -151.18 138.95 19.78 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.937 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.686 ' H ' HD21 ' A' ' 105' ' ' LEU . . . 61.66 39.07 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.479 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.597 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 66.65 -4.0 3.3 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.313 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -112.3 125.39 54.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.907 0.384 . . . . 0.0 110.704 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -71.15 130.78 42.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.647 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 52' ' ' LEU . 19.0 mt -89.26 149.94 22.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.558 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -129.43 168.85 15.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -56.33 -32.68 64.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.55 -20.86 79.7 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -72.96 149.98 42.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.802 0.334 . . . . 0.0 110.585 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.35 162.36 16.16 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.606 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.711 HD12 ' O ' ' A' ' 27' ' ' GLU . 9.1 mt -72.4 -45.79 58.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.368 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.637 ' H ' ' HA ' ' A' ' 29' ' ' SER . 43.6 t -68.02 -10.19 51.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -57.44 -20.67 31.93 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.993 0.425 . . . . 0.0 110.376 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -126.16 1.89 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.4 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 76.67 37.66 0.3 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.707 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.63 HG23 ' CB ' ' A' ' 74' ' ' SER . 75.9 mt -77.46 95.32 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.167 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.38 -129.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.057 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -101.78 -47.08 4.72 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.372 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -77.76 48.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.749 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.63 ' CB ' HG23 ' A' ' 70' ' ' ILE . 5.8 m -110.0 139.2 45.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.769 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.4 m -94.64 100.16 12.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.413 HD22 HD12 ' A' ' 12' ' ' ILE . 4.2 mp -81.35 121.76 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.722 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.453 ' O ' HD23 ' A' ' 52' ' ' LEU . 13.0 m80 -91.13 111.87 23.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.029 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.487 HD11 HE21 ' A' ' 50' ' ' GLN . 1.2 tt -115.64 148.26 39.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.231 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.468 ' N ' ' HG ' ' A' ' 78' ' ' LEU . 22.6 m -121.7 127.91 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.668 HD21 HG21 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -92.87 138.17 31.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.795 -179.584 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.672 ' HE ' ' HE ' ' A' ' 51' ' ' ARG . 10.9 mtt-85 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.389 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.675 0.274 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -154.55 37.36 0.42 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.197 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 56.86 57.73 4.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.536 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.641 ' O ' HD23 ' A' ' 96' ' ' LEU . 1.1 mm-40 166.05 -87.46 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.256 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 97' ' ' ILE . 8.9 pt-20 -48.06 -31.33 5.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.991 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 94' ' ' GLU . 0.8 OUTLIER -39.99 -24.4 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.265 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.472 ' N ' HD23 ' A' ' 96' ' ' LEU . 2.5 mt -87.62 -63.64 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.762 0.315 . . . . 0.0 110.818 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.537 ' HA ' HD12 ' A' ' 101' ' ' ILE . 10.3 ptm180 -63.19 -32.55 73.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.453 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 6.5 ptmm? -75.43 -28.41 59.34 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.493 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -74.06 -25.24 59.72 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 98' ' ' ARG . 18.4 mt -79.41 -31.74 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -90.98 -10.09 43.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.44 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -94.32 -73.31 0.58 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.321 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.8 p -98.99 -9.38 24.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.686 HD21 ' H ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.206 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.973 -178.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.551 ' HB3' HG22 ' A' ' 23' ' ' THR . 20.4 mt-30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.818 0.342 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.46 HG12 HG22 ' A' ' 26' ' ' VAL . 28.6 pt -73.8 179.0 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.692 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -119.2 128.66 54.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.732 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.29 132.01 56.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.721 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 5.9 ttpt -122.58 118.1 27.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.91 0.386 . . . . 0.0 111.023 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 41.0 p -68.29 169.0 11.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.496 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 100' ' ' ALA . 27.3 tp -66.14 -22.62 66.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.471 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -79.69 -20.44 46.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.701 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.15 42.75 2.34 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 19.3 tptm -102.94 124.97 49.44 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.2 121.3 27.75 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.4 mt -132.45 130.92 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.772 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.551 HG22 ' HB3' ' A' ' 11' ' ' GLN . 25.2 m -106.72 128.46 54.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.316 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -132.38 140.12 48.37 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.656 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -83.15 104.35 13.27 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.46 HG22 HG12 ' A' ' 12' ' ' ILE . 20.6 m -131.62 149.66 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.229 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.685 ' O ' HD12 ' A' ' 65' ' ' LEU . 4.4 mt-10 -71.56 163.34 27.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.083 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.5 p -68.33 -21.74 64.73 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.767 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.612 ' HA ' ' H ' ' A' ' 66' ' ' SER . 26.8 t -114.73 4.15 14.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.421 -178.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.53 160.04 0.19 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.0 p -97.73 157.38 16.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 mm -53.18 -48.08 54.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.158 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -50.96 -45.4 60.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.281 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -64.03 -42.99 96.89 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.748 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -58.83 -46.53 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.604 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 39' ' ' ILE . 5.2 mtmp? -63.54 -60.36 3.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.358 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.1 p -46.9 -49.74 19.92 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.88 0.372 . . . . 0.0 110.155 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.28 -37.52 36.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.86 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -66.15 -40.27 86.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.551 179.635 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.419 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -61.63 -27.75 68.89 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.758 0.313 . . . . 0.0 110.874 -179.719 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.7 -25.83 49.69 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.8 -45.21 10.51 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 114.515 -1.22 . . . . 0.0 111.822 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -123.02 10.56 9.45 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 76.48 -43.36 1.82 Allowed Glycine 0 CA--C 1.526 0.777 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.71 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.726 HG21 HD22 ' A' ' 80' ' ' LEU . 8.5 mm -35.03 118.48 0.58 Allowed Pre-proline 0 N--CA 1.466 0.347 0 CA-C-O 120.518 0.199 . . . . 0.0 111.3 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -69.4 138.82 39.93 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.421 2.081 . . . . 0.0 112.089 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -49.76 -36.17 41.25 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.971 2.448 . . . . 0.0 112.128 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.66 -37.83 82.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.372 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -73.53 -10.41 59.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.332 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.432 HE22 ' HB ' ' A' ' 45' ' ' ILE . 1.3 pt20 -128.63 176.09 8.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.242 0.544 . . . . 0.0 111.717 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.519 HH12 HH21 ' A' ' 81' ' ' ARG . 0.0 OUTLIER -155.04 173.38 16.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.61 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' A' ' 59' ' ' LEU . 3.3 mm? -118.7 115.43 24.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.674 0.273 . . . . 0.0 111.099 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.525 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.8 mp -109.98 116.01 51.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.638 ' HB3' HD11 ' A' ' 59' ' ' LEU . 47.8 t-105 -134.54 135.77 42.57 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.902 0.382 . . . . 0.0 111.235 -179.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.483 ' N ' HD12 ' A' ' 105' ' ' LEU . . . 59.37 53.35 5.29 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.333 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.452 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 54.9 7.82 1.17 Allowed Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.425 -0.352 . . . . 0.0 112.43 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -124.61 132.2 53.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -72.14 129.34 38.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.935 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' A' ' 52' ' ' LEU . 46.6 mt -86.44 149.44 25.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.73 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.7 148.88 25.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.769 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -51.7 -18.42 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.571 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.27 -7.31 67.71 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.057 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 154.67 41.65 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 117.009 0.405 . . . . 0.0 110.428 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.0 p -116.18 165.57 13.0 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 27' ' ' GLU . 6.9 mt -81.36 -39.51 24.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.383 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.612 ' H ' ' HA ' ' A' ' 29' ' ' SER . 66.4 p -73.19 -10.52 59.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.267 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -55.15 -62.01 1.95 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.77 3.52 47.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.412 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.54 29.29 2.67 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.254 0.55 . . . . 0.0 109.957 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.7 mt -55.17 108.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.244 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -156.24 0.07 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.015 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.446 ' HG2' ' H ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -88.66 -44.83 10.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.682 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' H ' ' HG2' ' A' ' 72' ' ' ARG . 28.8 mm-40 -79.08 49.3 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 0.0 110.017 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.8 p -106.11 134.2 49.61 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.877 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.7 m -90.07 94.97 10.0 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.743 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.59 139.61 30.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.524 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.44 115.48 30.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.573 HD12 HD21 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -103.38 133.56 48.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.553 -179.375 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.447 HG13 HD12 ' A' ' 96' ' ' LEU . 2.5 t -99.74 132.69 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.133 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.726 HD22 HG21 ' A' ' 45' ' ' ILE . 92.5 mt -117.55 129.96 56.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.519 HH21 HH12 ' A' ' 51' ' ' ARG . 3.9 ttm180 . . . . . 0 C--O 1.233 0.199 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.312 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.654 0.264 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -148.25 37.4 0.85 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.698 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 94' ' ' GLU . 3.8 mt-10 54.41 57.58 5.69 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.411 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.824 ' H ' HD22 ' A' ' 96' ' ' LEU . 3.7 tm-20 168.84 -85.35 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 97' ' ' ILE . 6.8 pt-20 -53.16 -35.82 60.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.198 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.824 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.3 pt? -33.84 -28.08 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.648 ' H ' HD23 ' A' ' 96' ' ' LEU . 3.1 mt -95.42 -48.9 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.424 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.549 ' CG ' ' N ' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -53.66 -49.9 66.94 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -179.369 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.549 ' N ' ' CG ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -65.78 -70.54 0.23 Allowed 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.782 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -33.87 -38.65 0.06 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.472 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 22.3 mt -66.27 -47.74 83.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 120.927 0.394 . . . . 0.0 110.391 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -87.45 -10.41 51.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.072 -179.274 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 99' ' ' LYS . 17.6 mt -90.21 -73.32 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.2 t -100.57 -10.4 21.04 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 105' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.719 -178.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' A' ' 25' ' ' GLU . 28.4 mt-30 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.793 0.33 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.407 HG12 HG22 ' A' ' 26' ' ' VAL . 40.1 pt -74.38 176.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.0 134.87 53.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.866 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.34 135.45 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.343 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.7 ttpt -132.14 122.36 25.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.046 0.45 . . . . 0.0 110.98 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.4 p -78.77 175.4 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.765 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -57.19 -48.36 78.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.601 179.179 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.452 ' H ' HG23 ' A' ' 18' ' ' THR . 6.8 p -62.12 -17.91 59.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.711 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.27 43.63 3.43 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 10.7 tptp -90.58 111.21 22.43 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -81.45 118.55 22.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.635 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -131.34 128.06 60.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.387 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 m -105.62 128.07 53.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.44 137.34 47.23 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.433 ' HB2' HE21 ' A' ' 11' ' ' GLN . 6.4 tt0 -82.36 103.9 12.26 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.778 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG22 HG12 ' A' ' 12' ' ' ILE . 22.2 m -130.52 172.71 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.447 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.731 ' O ' HD12 ' A' ' 65' ' ' LEU . 23.3 mt-10 -87.0 153.68 21.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.933 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -64.31 -17.0 63.25 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.539 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.591 ' HA ' ' H ' ' A' ' 66' ' ' SER . 3.8 m -118.66 3.92 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.075 -178.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.89 162.87 0.07 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 110.621 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.3 p -96.77 158.96 15.18 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.462 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 mm -55.91 -46.67 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.424 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -48.06 -43.73 30.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.697 0.284 . . . . 0.0 110.661 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -37.86 88.5 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.77 -44.11 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.54 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -63.09 -64.28 0.96 Allowed 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.287 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.3 p -45.34 -53.27 8.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.888 0.375 . . . . 0.0 110.556 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.39 -35.54 19.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.338 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.457 HG21 ' NE2' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -64.57 -44.53 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -62.06 -27.22 68.75 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-O 120.647 0.26 . . . . 0.0 111.286 -179.467 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 14.0 t70 -73.29 -31.42 64.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -91.91 -35.9 13.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.221 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -117.22 3.67 12.63 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.41 ' CA ' ' O ' ' A' ' 40' ' ' GLN . . . 74.29 -45.78 1.51 Allowed Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.437 ' H ' HG12 ' A' ' 45' ' ' ILE . 5.0 mm -41.04 117.07 1.48 Allowed Pre-proline 0 CA--C 1.531 0.248 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.08 143.75 17.62 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.603 2.202 . . . . 0.0 112.237 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -54.2 -40.93 80.0 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.671 2.247 . . . . 0.0 112.026 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.27 -36.03 82.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.176 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -17.98 64.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.272 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.457 ' NE2' HG21 ' A' ' 39' ' ' ILE . 1.5 mt-30 -109.39 152.43 25.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.1 0.476 . . . . 0.0 111.396 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.33 159.21 42.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.149 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 53' ' ' ILE . 5.2 mp -118.81 121.17 39.42 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.299 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.596 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -117.63 124.85 73.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.449 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.525 ' HB3' HD11 ' A' ' 59' ' ' LEU . 66.8 t90 -150.24 143.14 24.78 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.1 0.476 . . . . 0.0 111.465 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 64.12 53.4 1.82 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.99 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.595 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 57.09 5.8 1.62 Allowed Glycine 0 CA--C 1.528 0.845 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.618 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -136.45 156.84 48.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.125 0.463 . . . . 0.0 111.048 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.446 ' OE1' HD11 ' A' ' 53' ' ' ILE . 22.9 tt0 -84.04 127.57 33.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.297 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 54' ' ' TRP . 31.5 mt -72.32 129.67 38.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.506 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -81.08 133.02 35.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.652 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -51.75 -27.53 12.34 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.585 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.3 -3.45 85.7 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -78.78 157.63 28.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.811 0.338 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.4 p -114.65 170.13 8.55 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.5 mt -74.84 -41.03 60.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.789 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.591 ' H ' ' HA ' ' A' ' 29' ' ' SER . 17.4 p -69.14 -10.13 56.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.659 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.77 -28.54 49.54 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.132 0.491 . . . . 0.0 109.959 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -126.24 -2.48 6.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.572 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 75.82 33.98 0.59 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.277 0.561 . . . . 0.0 109.76 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.9 mt -62.53 122.41 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.631 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -105.01 169.57 8.36 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -49.62 -42.77 45.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -78.79 46.83 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.231 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -124.07 149.6 45.96 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 m -105.02 104.34 14.06 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mp -82.67 132.88 35.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.766 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -94.33 106.04 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.456 HD21 ' NE2' ' A' ' 50' ' ' GLN . 7.6 tt -107.48 143.79 35.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.467 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.488 HG11 HD13 ' A' ' 96' ' ' LEU . 46.3 t -111.57 131.29 63.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.9 130.91 50.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.877 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -149.78 39.89 0.8 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.637 ' HA ' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER 48.73 74.34 0.18 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.761 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.525 ' H ' ' CD1' ' A' ' 96' ' ' LEU . 15.8 tt0 149.76 -76.29 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.301 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -64.94 -9.99 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.217 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.637 HD21 ' HA ' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -74.02 -10.76 59.97 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.952 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.599 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.5 mt -92.19 -52.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.3 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -64.82 -33.65 76.49 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 0.2 OUTLIER -74.56 -29.3 61.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.646 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.06 -33.39 50.92 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.595 HG23 ' HA2' ' A' ' 56' ' ' GLY . 7.5 mt -64.96 -37.78 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.601 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -92.64 -10.2 38.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.142 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.5 OUTLIER -88.38 -74.4 0.46 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.117 -178.624 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.5 m -100.34 -11.35 20.37 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.543 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 5.3 mp . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.704 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 25' ' ' GLU . 12.4 pt20 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.945 0.402 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.543 ' CD1' HD22 ' A' ' 76' ' ' LEU . 31.8 pt -83.5 -171.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.679 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -124.22 133.55 53.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.303 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.47 140.89 52.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.102 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.2 ttpp -128.05 117.92 22.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.501 HG22 HD22 ' A' ' 78' ' ' LEU . 71.1 p -66.18 170.27 6.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.614 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.868 HD11 ' HZ1' ' A' ' 99' ' ' LYS . 3.1 tm? -57.7 -46.3 84.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.919 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -61.92 -21.06 64.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.65 42.45 2.49 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 10.0 ttmt -98.97 125.06 44.34 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.28 125.13 32.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.468 HD13 HD11 ' A' ' 39' ' ' ILE . 1.6 mt -133.19 129.51 57.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.278 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.684 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.7 m -107.4 125.78 51.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.538 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.883 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -132.71 141.96 48.82 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -78.46 106.43 10.4 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.565 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.66 148.34 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.5 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.706 ' O ' HD12 ' A' ' 65' ' ' LEU . 5.0 mm-40 -70.11 158.76 35.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.873 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 20.9 t -66.61 -17.48 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.257 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.605 ' HA ' ' H ' ' A' ' 66' ' ' SER . 59.6 p -117.71 4.17 12.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.209 -178.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -47.41 159.64 0.13 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.765 0.317 . . . . 0.0 110.518 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.8 p -94.65 158.49 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.242 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.0 mm -55.02 -46.56 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.425 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -44.96 -46.21 10.94 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.659 0.266 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.44 -36.81 84.97 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.858 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.88 -44.72 96.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.693 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.452 ' HA ' ' NE2' ' A' ' 50' ' ' GLN . 20.6 mtmm -65.68 -64.11 0.94 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.448 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -49.64 -53.1 26.15 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.776 0.322 . . . . 0.0 110.368 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -35.16 22.0 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.468 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -64.22 -43.35 97.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.183 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.9 pt20 -59.33 -26.65 65.21 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-O 120.861 0.363 . . . . 0.0 110.501 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.59 -29.42 63.5 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -89.73 -38.94 13.48 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.294 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 45' ' ' ILE . 21.3 mt-10 -122.93 8.6 9.33 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.19 -38.07 0.67 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.575 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.518 ' CD1' HD21 ' A' ' 80' ' ' LEU . 18.2 mt -42.72 114.59 1.52 Allowed Pre-proline 0 CA--C 1.532 0.267 0 CA-C-O 120.578 0.228 . . . . 0.0 111.578 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 2.4 Cg_endo -50.12 143.57 24.88 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.898 2.399 . . . . 0.0 112.123 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -52.36 -29.54 39.38 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.596 2.197 . . . . 0.0 112.061 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.1 -45.42 34.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.374 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -23.63 54.82 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.141 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.632 ' NE2' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -109.17 157.33 18.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.853 0.358 . . . . 0.0 110.641 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.455 ' NH2' HH12 ' A' ' 81' ' ' ARG . 0.1 OUTLIER -131.86 165.16 24.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.812 179.729 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.677 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -124.55 112.23 16.6 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.72 0.295 . . . . 0.0 110.478 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.587 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.8 mp -112.49 126.01 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.466 ' HB3' HD21 ' A' ' 59' ' ' LEU . 26.5 t-105 -136.2 131.12 34.18 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.917 0.389 . . . . 0.0 111.219 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.62 61.69 1.66 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.174 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.544 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 51.4 9.91 0.48 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.949 178.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.66 142.07 46.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.137 0.468 . . . . 0.0 110.944 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 129.57 38.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.977 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.677 HD12 ' HB3' ' A' ' 52' ' ' LEU . 63.8 mt -66.61 -142.76 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.813 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 178.23 144.95 0.12 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.929 0.395 . . . . 0.0 111.046 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -49.03 -42.28 37.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.179 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.11 -7.19 66.37 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.26 152.42 24.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.5 p -114.57 169.08 9.32 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.636 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.2 mt -72.42 -41.54 66.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.695 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.605 ' H ' ' HA ' ' A' ' 29' ' ' SER . 29.6 t -66.66 -9.77 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.693 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.48 -23.39 62.71 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.055 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -125.68 -6.49 6.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.207 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 m120 74.94 43.51 0.22 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.354 0.597 . . . . 0.0 109.444 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.1 mm -66.42 117.6 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.668 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -95.39 167.42 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.404 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.422 ' HG2' ' H ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -53.68 -44.53 69.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.143 179.838 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.8 50.25 1.78 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.828 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 t -117.86 147.76 42.77 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.772 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 m -105.53 101.27 10.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.205 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 12' ' ' ILE . 1.7 mp -85.07 120.79 26.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.055 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -78.52 106.99 10.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.632 HD11 ' NE2' ' A' ' 50' ' ' GLN . 9.0 tt -98.97 132.98 43.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.706 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.447 ' HB ' HD13 ' A' ' 53' ' ' ILE . 2.2 t -96.17 125.84 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.87 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.518 HD21 ' CD1' ' A' ' 45' ' ' ILE . 1.8 tp -112.18 116.66 30.82 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.455 HH12 ' NH2' ' A' ' 51' ' ' ARG . 1.2 ptm180 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.369 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -150.88 40.57 0.73 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.804 0.335 . . . . 0.0 110.802 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 94' ' ' GLU . 0.5 OUTLIER 50.96 70.15 0.56 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.926 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.867 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.5 tm-20 165.31 -83.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 96' ' ' LEU . 1.3 pm0 -56.53 -34.18 66.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.282 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.867 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.3 pt? -34.64 -31.42 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -178.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.689 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.4 mt -74.01 -59.86 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.837 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.454 ' N ' HG22 ' A' ' 97' ' ' ILE . 9.7 ptp180 -65.48 -28.82 69.48 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.868 ' HZ1' HD11 ' A' ' 17' ' ' LEU . 14.5 ttpp -70.63 -38.25 73.88 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.011 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.4 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -73.01 -18.15 61.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.634 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.544 HG23 ' HA2' ' A' ' 56' ' ' GLY . 29.8 mt -89.54 -33.46 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.064 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -91.22 -11.79 37.21 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.81 HD12 ' N ' ' A' ' 104' ' ' SER . 3.2 pp -95.6 -67.72 0.84 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 119.404 -0.918 . . . . 0.0 112.75 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.81 ' N ' HD12 ' A' ' 103' ' ' LEU . 5.4 m -98.79 -15.65 19.2 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.501 HD12 ' H ' ' A' ' 56' ' ' GLY . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.583 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.966 0.412 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.578 HG22 ' O ' ' A' ' 71' ' ' GLN . 33.8 pt -68.14 165.62 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.481 -179.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.75 ' CE2' HG23 ' A' ' 75' ' ' THR . 1.0 OUTLIER -106.35 118.49 36.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.797 178.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.462 ' CB ' HD21 ' A' ' 24' ' ' LEU . . . -109.71 120.17 41.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.658 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.561 ' HG3' ' N ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -105.15 155.1 19.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.994 179.324 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.561 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 73.1 p -112.61 167.24 10.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.141 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.74 HD21 HD21 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -55.24 -48.97 73.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.972 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.3 p -61.12 -19.93 62.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.03 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.39 35.78 4.85 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.821 -0.512 . . . . 0.0 111.821 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.74 140.32 29.7 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.724 HG23 ' CE1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -97.05 121.63 39.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 110.984 -179.569 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.1 mt -133.56 133.85 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.495 ' C ' HD23 ' A' ' 24' ' ' LEU . 84.6 m -112.9 133.56 54.82 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.828 0.347 . . . . 0.0 111.158 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.495 HD23 ' C ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -133.33 138.4 46.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.589 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.37 105.2 14.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.779 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.444 HG22 HG12 ' A' ' 12' ' ' ILE . 10.4 m -137.33 165.16 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.159 0.504 . . . . 0.0 111.736 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.579 ' O ' HD12 ' A' ' 65' ' ' LEU . 20.5 mt-10 -78.53 158.83 28.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.835 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.6 p -68.6 -17.16 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.099 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.629 ' HA ' ' H ' ' A' ' 66' ' ' SER . 1.1 m -116.81 3.66 12.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.434 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.33 163.32 0.17 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.635 0.255 . . . . 0.0 110.541 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.5 p -97.16 160.57 14.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.152 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 mm -52.24 -43.19 38.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -48.08 -45.32 32.39 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.373 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -64.04 -38.98 93.04 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.735 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.04 -48.24 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.708 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -61.25 -59.36 5.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.072 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.5 p -47.29 -47.18 25.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.216 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -52.02 -38.18 55.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.057 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.424 HG21 ' CD ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -64.38 -44.13 97.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.536 179.56 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.419 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.3 pt20 -60.93 -29.85 69.86 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.592 0.234 . . . . 0.0 111.388 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.78 -25.96 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -92.22 -40.24 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.93 -178.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -122.37 7.5 9.61 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 73.87 -40.43 0.99 Allowed Glycine 0 CA--C 1.531 1.034 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.09 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.8 mt -37.78 124.34 0.98 Allowed Pre-proline 0 N--CA 1.467 0.377 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -54.82 132.45 51.99 Favored 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.685 2.257 . . . . 0.0 111.494 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -48.92 -43.95 33.75 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 122.846 2.364 . . . . 0.0 112.617 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -63.62 -28.4 69.89 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.999 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -69.7 -12.29 61.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.078 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.424 ' CD ' HG21 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -111.15 157.5 19.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.165 0.507 . . . . 0.0 111.581 -179.307 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.1 161.81 33.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.27 -0.877 . . . . 0.0 108.744 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.592 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -121.94 111.2 16.78 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.768 -179.67 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.592 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.8 mp -112.55 121.51 65.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.609 ' HB3' HD11 ' A' ' 59' ' ' LEU . 18.6 t90 -136.55 136.2 39.11 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.942 0.401 . . . . 0.0 110.777 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.419 ' N ' HD12 ' A' ' 105' ' ' LEU . . . 55.59 55.92 6.75 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.304 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.664 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 55.38 5.54 0.78 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.505 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -121.42 135.56 55.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 117.069 0.435 . . . . 0.0 110.911 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -77.99 127.0 31.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.058 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.609 HD11 ' HB3' ' A' ' 54' ' ' TRP . 38.7 mt -83.38 146.57 28.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.712 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -101.03 148.1 25.43 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.458 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.15 -30.62 11.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.63 -5.76 69.5 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.22 155.68 28.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.8 0.333 . . . . 0.0 110.728 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -114.06 176.44 5.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.713 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 27' ' ' GLU . 9.8 mt -85.01 -39.53 17.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.689 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.629 ' H ' ' HA ' ' A' ' 29' ' ' SER . 46.0 t -69.53 -9.82 55.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.001 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.99 -61.91 1.87 Allowed 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -93.09 2.13 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.394 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 78.23 52.09 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.168 0.509 . . . . 0.0 110.273 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.655 HG23 ' CB ' ' A' ' 74' ' ' SER . 27.4 mt -82.65 122.6 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.501 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.578 ' O ' HG22 ' A' ' 12' ' ' ILE . 14.9 mp0 -102.98 -125.98 0.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.442 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -102.06 -41.41 6.44 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.818 0.342 . . . . 0.0 110.731 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -82.43 36.54 0.48 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.655 ' CB ' HG23 ' A' ' 70' ' ' ILE . 78.6 p -95.52 125.96 40.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.364 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.75 HG23 ' CE2' ' A' ' 13' ' ' PHE . 24.8 m -88.29 93.81 9.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 0.0 110.265 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.531 HD22 HD12 ' A' ' 12' ' ' ILE . 2.6 mp -84.79 155.8 21.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.683 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.553 ' O ' HD13 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -121.28 111.02 16.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.613 179.247 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.554 HD12 ' CD2' ' A' ' 52' ' ' LEU . 1.1 tp -99.91 130.24 46.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.289 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.764 HG11 HD13 ' A' ' 96' ' ' LEU . 42.8 t -104.64 126.86 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.292 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.9 mt -99.23 114.3 27.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.66 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.437 ' HA ' HD21 ' A' ' 96' ' ' LEU . 18.3 ptt85 . . . . . 0 C--O 1.232 0.133 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.643 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' N ' ' HZ2' ' A' ' 99' ' ' LYS . . . . . . . . 0 C--O 1.232 0.174 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.456 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 10.6 m-20 -147.96 43.52 1.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.597 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.697 ' O ' HD11 ' A' ' 96' ' ' LEU . 6.3 tt0 73.11 -57.68 0.63 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.802 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -91.45 -58.01 2.58 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.393 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 97' ' ' ILE . 2.8 mm-40 -50.57 -50.22 54.2 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.521 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.918 HD12 ' N ' ' A' ' 97' ' ' ILE . 0.8 OUTLIER -35.12 -22.66 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.042 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.918 ' N ' HD12 ' A' ' 96' ' ' LEU . 1.9 mt -84.75 -53.86 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.015 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 7.6 ptm180 -60.89 -41.7 96.55 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.619 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.597 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -76.4 -26.59 55.74 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.063 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -70.41 -25.24 63.13 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.664 HG23 ' HA2' ' A' ' 56' ' ' GLY . 31.0 mt -83.59 -30.82 8.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.996 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.71 -12.42 31.45 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.877 HD12 ' N ' ' A' ' 104' ' ' SER . 2.9 pp -96.28 -69.93 0.74 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 119.161 -1.015 . . . . 0.0 113.249 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.877 ' N ' HD12 ' A' ' 103' ' ' LEU . 32.0 t -99.99 -10.61 21.42 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.637 HD12 ' H ' ' A' ' 56' ' ' GLY . 3.6 mm? . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -78.9 23.98 0.32 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.762 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.03 175.92 0.15 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -104.47 -2.4 25.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.657 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.97 176.66 4.85 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.64 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -144.34 131.56 20.67 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.697 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -157.6 60.82 0.48 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.383 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.39 69.09 3.21 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.19 -16.52 40.06 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -115.4 121.52 43.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.072 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.527 ' H ' ' NH2' ' A' ' 72' ' ' ARG . 3.2 mp0 -105.33 176.42 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.163 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG12 HG22 ' A' ' 26' ' ' VAL . 12.6 pt -142.95 169.03 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.143 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -123.56 132.16 53.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.042 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.37 137.8 54.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.828 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.43 116.55 22.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.564 HG22 HD22 ' A' ' 78' ' ' LEU . 68.3 p -63.26 167.4 5.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.036 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 17' ' ' LEU . 3.4 tm? -57.11 -42.27 80.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.02 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.2 p -64.81 -16.88 63.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.399 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.46 21.39 11.56 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 121.237 -0.506 . . . . 0.0 111.968 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -81.6 124.24 29.37 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 m -86.14 126.94 34.59 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.853 0.359 . . . . 0.0 110.958 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.652 HD13 HD11 ' A' ' 39' ' ' ILE . 17.2 mt -133.33 129.04 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.62 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.7 m -107.7 126.74 52.97 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.431 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.487 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -131.75 140.65 49.3 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 5.9 mp0 -83.24 107.99 16.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.527 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.637 HG12 ' CD ' ' A' ' 38' ' ' LYS . 4.6 m -126.14 -172.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.404 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.694 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.9 mm-40 -107.15 158.41 17.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.694 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 65.0 p -60.77 -21.44 63.04 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.705 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.593 ' HA ' ' H ' ' A' ' 66' ' ' SER . 58.7 p -116.35 4.76 13.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.468 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.529 ' HB2' ' H ' ' A' ' 27' ' ' GLU . 6.9 t70 -40.09 148.77 0.07 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.694 0.283 . . . . 0.0 110.973 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.1 p -99.25 163.25 12.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.383 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.439 HG22 ' HG3' ' A' ' 36' ' ' LYS . 31.9 mm -52.26 -54.36 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.311 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.86 -43.52 18.71 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.809 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -69.18 -40.41 78.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.302 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.12 -47.71 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.788 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HG3' HG22 ' A' ' 32' ' ' ILE . 36.7 mtmt -59.66 -64.79 0.82 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.724 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -46.22 -47.5 17.9 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.929 0.395 . . . . 0.0 110.376 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.637 ' CD ' HG12 ' A' ' 26' ' ' VAL . 30.8 mttm -50.14 -35.83 27.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.77 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.652 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -67.48 -40.17 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.135 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.31 -32.59 64.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.696 0.284 . . . . 0.0 110.65 -179.484 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 15.8 t70 -72.79 -20.99 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.69 -46.47 7.56 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.318 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -118.78 6.11 11.51 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.25 -39.45 1.87 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.478 HG21 ' CD2' ' A' ' 80' ' ' LEU . 7.1 mm -39.58 125.19 1.46 Allowed Pre-proline 0 N--CA 1.464 0.244 0 CA-C-O 120.501 0.191 . . . . 0.0 111.229 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.2 Cg_exo -70.04 142.81 47.68 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 122.409 2.073 . . . . 0.0 112.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -52.94 -40.37 76.07 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.641 2.228 . . . . 0.0 112.316 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.68 -22.25 66.35 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.786 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -97.42 -12.3 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.632 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 1.032 HE22 HD21 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -99.1 135.21 40.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.47 -179.433 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.641 ' HB3' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -117.49 150.42 38.95 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.098 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -123.25 117.95 26.48 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.328 -179.238 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.406 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.4 mp -116.83 126.66 74.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.469 ' HB2' HD11 ' A' ' 59' ' ' LEU . 24.2 t90 -145.71 139.92 26.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.954 0.407 . . . . 0.0 110.867 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 58.01 53.11 7.05 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.288 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.689 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 56.26 2.45 0.42 Allowed Glycine 0 CA--C 1.531 1.072 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.693 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 55' ' ' ALA . 15.4 ttmt -121.64 144.33 48.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 117.178 0.489 . . . . 0.0 111.177 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -79.35 120.74 24.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.638 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 54' ' ' TRP . 57.8 mt -71.07 125.91 28.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.924 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' H ' ' HG3' ' A' ' 63' ' ' ARG . 1.6 mt-10 -82.4 138.86 34.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.942 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -44.68 -24.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.06 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.12 4.97 85.39 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 121.285 -0.483 . . . . 0.0 112.03 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HG3' ' H ' ' A' ' 60' ' ' GLU . 11.9 mmt85 -82.09 153.42 26.1 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.3 p -116.89 168.21 10.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.641 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 27' ' ' GLU . 6.3 mt -75.94 -42.13 49.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.152 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.593 ' H ' ' HA ' ' A' ' 29' ' ' SER . 41.5 p -73.1 -9.94 59.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.202 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.25 -61.91 1.97 Allowed 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -87.35 3.47 46.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.49 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 t30 73.82 27.88 1.64 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.12 0.486 . . . . 0.0 109.76 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.9 mt -56.28 112.81 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.525 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.626 HE21 ' H ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -70.71 -150.29 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.274 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.527 ' NH2' ' H ' ' A' ' 11' ' ' GLN . 7.1 ptm85 -99.83 -39.04 8.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.732 0.301 . . . . 0.0 110.385 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.626 ' H ' HE21 ' A' ' 71' ' ' GLN . 46.3 mt-10 -81.95 55.03 2.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.258 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.9 p -114.95 148.03 39.26 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.6 m -99.23 98.04 9.06 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.024 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mp -78.51 96.75 5.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.575 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.43 109.84 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.027 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.032 HD21 HE22 ' A' ' 50' ' ' GLN . 5.9 tt -105.6 143.08 34.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.226 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.641 HG23 ' HB3' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -125.14 119.5 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.957 0.408 . . . . 0.0 110.401 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.478 ' CD2' HG21 ' A' ' 45' ' ' ILE . 10.9 mt -75.39 117.99 17.8 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.749 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.431 ' NE ' ' HB2' ' A' ' 51' ' ' ARG . 6.0 mtt85 -73.93 171.46 13.4 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.4 tp -147.79 105.27 3.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.091 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.02 -27.82 18.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.688 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.12 -160.54 4.82 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.46 125.36 37.81 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.87 128.17 15.27 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.931 0.396 . . . . 0.0 110.707 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 10.4 ttm -64.64 -25.02 67.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.546 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.81 43.31 96.35 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.65 -155.56 8.31 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.416 ' HB1' ' HE2' ' A' ' 99' ' ' LYS . . . -66.29 -55.46 15.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.733 0.301 . . . . 0.0 110.602 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -109.49 133.28 53.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.53 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.405 ' HB2' ' CD ' ' A' ' 95' ' ' GLU . 1.7 m-20 -134.99 -78.79 0.44 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.298 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.446 ' HA ' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -146.79 -43.91 0.18 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -105.41 -41.66 5.45 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.626 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.405 ' CD ' ' HB2' ' A' ' 92' ' ' ASP . 0.6 OUTLIER -66.74 -11.59 55.25 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.181 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 97' ' ' ILE . 1.1 pp -78.65 -10.3 59.7 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.764 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.7 mt -90.49 -55.96 5.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.495 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -59.57 -33.84 71.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.004 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.552 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -80.6 -36.22 33.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.988 -179.645 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -65.95 -19.62 65.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.069 0.461 . . . . 0.0 109.825 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.689 HG23 ' HA2' ' A' ' 56' ' ' GLY . 74.1 mt -94.11 -28.55 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.29 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -93.02 -11.93 31.88 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -178.075 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.823 HD12 ' N ' ' A' ' 104' ' ' SER . 2.6 pp -96.1 -70.22 0.72 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 119.363 -0.935 . . . . 0.0 112.849 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.823 ' N ' HD12 ' A' ' 103' ' ' LEU . 18.6 m -98.65 -12.09 21.41 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.503 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -94.27 -36.26 12.07 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.721 -0.391 . . . . 0.0 111.924 -178.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -43.13 -26.17 0.15 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -179.017 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -53.32 -40.24 64.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.97 0.414 . . . . 0.0 109.984 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.8 p -67.8 -31.8 71.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.174 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.5 tmm_? -76.92 -27.67 54.99 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.308 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -65.41 -25.95 67.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 p -62.33 -22.2 65.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.603 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.5 -0.23 37.77 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.05 -15.08 48.9 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.965 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -139.23 -7.2 1.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.361 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 54.9 45.39 26.63 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.364 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 69.91 100.88 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.487 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -148.74 0.11 0.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.216 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -79.36 -174.57 4.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.647 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.36 164.62 11.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.74 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 157.5 127.41 0.96 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.48 173.08 6.5 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.686 0.279 . . . . 0.0 110.393 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.64 122.32 36.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.129 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -113.18 114.23 26.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.408 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.499 HD12 HD13 ' A' ' 76' ' ' LEU . 29.7 pt -73.0 173.65 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.166 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -126.3 140.03 52.84 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.952 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.3 150.76 50.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.4 ttpp -131.58 120.86 23.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.568 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -69.66 173.28 6.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.753 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.669 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -58.7 -47.08 85.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.206 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -62.24 -21.73 65.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.59 42.12 2.39 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.006 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -94.26 124.96 38.6 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.112 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.3 m -87.21 116.57 25.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.4 mt -132.65 136.08 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.467 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 m -106.39 137.5 44.25 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.527 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -127.07 131.59 50.86 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.016 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.06 94.09 6.52 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.169 0.509 . . . . 0.0 110.052 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.77 HG12 ' HD2' ' A' ' 38' ' ' LYS . 4.6 m -119.29 -169.31 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.062 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.72 ' O ' HD12 ' A' ' 65' ' ' LEU . 47.6 mm-40 -111.02 154.12 24.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.256 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.4 p -57.19 -23.04 44.97 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.153 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.628 ' HA ' ' H ' ' A' ' 66' ' ' SER . 82.9 p -116.41 4.35 13.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.885 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' H ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -46.1 158.58 0.09 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.68 0.276 . . . . 0.0 110.88 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -91.41 149.06 21.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.369 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' HA ' HD13 ' A' ' 32' ' ' ILE . 31.3 mm -53.12 -47.55 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.471 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.61 -43.8 46.74 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.562 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -66.05 -39.62 90.27 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.927 0.394 . . . . 0.0 109.938 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.48 -43.65 83.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 47' ' ' PRO . 21.8 mtpt -61.81 -59.6 4.9 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.138 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 40' ' ' GLN . 12.1 t -49.7 -50.64 43.09 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.011 0.434 . . . . 0.0 110.22 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.77 ' HD2' HG12 ' A' ' 26' ' ' VAL . 35.2 mttm -49.02 -34.27 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.731 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -40.22 82.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.92 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.3 pp0? -56.26 -28.89 60.16 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.799 0.333 . . . . 0.0 110.209 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 27.0 t70 -71.75 -23.6 61.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -92.1 -42.63 9.83 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.092 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' A' ' 45' ' ' ILE . 36.8 mt-10 -120.28 7.19 10.7 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.07 -39.13 1.15 Allowed Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.433 ' H ' ' C ' ' A' ' 43' ' ' GLU . 16.8 mm -37.13 128.89 0.78 Allowed Pre-proline 0 N--CA 1.464 0.239 0 C-N-CA 122.236 0.214 . . . . 0.0 111.213 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -65.97 137.65 49.54 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 C-N-CA 122.159 1.906 . . . . 0.0 111.649 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 36' ' ' LYS . 2.6 Cg_endo -48.73 -42.89 35.88 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 122.878 2.385 . . . . 0.0 112.609 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.51 -28.79 69.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.976 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -73.82 -13.94 61.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.306 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.699 ' HB3' HD11 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -107.21 149.83 27.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.057 0.456 . . . . 0.0 111.596 -179.127 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.495 HH22 HE22 ' A' ' 58' ' ' GLN . 4.1 mmp_? -127.57 147.77 50.34 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.553 ' C ' HD12 ' A' ' 53' ' ' ILE . 4.1 mm? -111.04 113.43 25.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.862 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.553 HD12 ' C ' ' A' ' 52' ' ' LEU . 2.0 mp -114.87 122.35 68.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.967 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.515 ' CB ' HD11 ' A' ' 59' ' ' LEU . 71.7 t-105 -132.44 132.34 42.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.914 0.388 . . . . 0.0 110.735 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 57' ' ' LYS . . . 53.79 61.23 3.19 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.598 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 55.33 3.43 0.37 Allowed Glycine 0 CA--C 1.53 1.015 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.934 178.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 55' ' ' ALA . 25.6 mttm -118.49 142.15 47.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 117.228 0.514 . . . . 0.0 110.984 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.495 HE22 HH22 ' A' ' 51' ' ' ARG . 0.0 OUTLIER -86.4 125.85 33.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.365 179.721 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.515 HD11 ' CB ' ' A' ' 54' ' ' TRP . 7.8 mt -83.03 144.64 29.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.675 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.0 140.71 29.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.561 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -55.47 -24.03 28.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.205 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.79 -9.6 86.8 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -74.74 164.44 26.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.39 . . . . 0.0 111.189 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.0 p -116.76 169.41 9.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.161 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.0 mt -75.43 -42.02 54.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.826 -179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.628 ' H ' ' HA ' ' A' ' 29' ' ' SER . 55.5 p -77.67 -10.64 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -60.17 3.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -84.83 1.0 48.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.5 t30 67.2 35.15 4.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.304 0.573 . . . . 0.0 109.9 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.3 mt -57.32 -22.39 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.942 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 53.49 -156.95 0.18 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.797 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 11.0 ptt85 -101.95 -52.05 3.26 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.154 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 3.2 pt-20 -75.59 63.21 1.51 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.129 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t -131.64 151.9 51.25 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.5 m -99.17 103.14 15.01 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.841 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.499 HD13 HD12 ' A' ' 12' ' ' ILE . 3.9 mp -84.42 96.2 9.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.65 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.2 117.23 10.57 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.204 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.699 HD11 ' HB3' ' A' ' 50' ' ' GLN . 7.3 tt -115.01 151.97 33.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.287 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 51' ' ' ARG . 30.4 m -130.18 127.43 63.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.938 179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.8 mt -85.12 127.86 34.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.196 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -73.35 -172.31 1.13 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.756 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.526 HD23 ' H ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -72.13 88.31 1.11 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.149 179.5 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -12.6 4.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.072 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.526 ' H ' HD23 ' A' ' 82' ' ' LEU . . . 87.71 61.67 1.51 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 178.17 -105.34 0.2 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.0 m -87.67 89.59 8.05 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.793 0.33 . . . . 0.0 110.241 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.508 ' HG3' ' H ' ' A' ' 89' ' ' GLY . 9.1 ptt? -75.97 -22.36 56.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.694 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.09 -14.65 19.93 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.508 ' H ' ' HG3' ' A' ' 87' ' ' MET . . . 84.12 -28.59 4.11 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.494 ' HB1' ' HE2' ' A' ' 99' ' ' LYS . . . -82.45 -70.76 0.53 Allowed 'General case' 0 C--O 1.232 0.173 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.11 91.08 7.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.027 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -88.23 -86.43 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.003 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.639 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.4 tt0 -140.63 -40.12 0.42 Allowed 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.385 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -111.99 -43.09 3.63 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.848 0.356 . . . . 0.0 110.803 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -63.73 -9.85 16.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.639 HD22 ' O ' ' A' ' 93' ' ' GLU . 0.9 OUTLIER -73.7 -10.49 59.74 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.552 ' N ' HD23 ' A' ' 96' ' ' LEU . 3.8 mt -95.87 -51.18 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -66.18 -33.52 75.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.121 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.494 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -75.38 -38.73 59.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.474 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.529 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -72.92 -29.06 62.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.983 0.421 . . . . 0.0 110.118 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.473 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 5.7 mt -70.0 -39.88 77.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.381 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 7.5 tt0 -93.19 -10.8 34.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.058 -0.973 . . . . 0.0 112.139 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 13.1 mt -89.4 -74.44 0.48 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.275 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.3 m -100.27 -10.38 21.37 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 1.2 mm? -86.83 -33.47 19.84 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.198 -178.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.483 ' HG3' ' N ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -93.81 -36.13 12.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.566 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.483 ' N ' ' HG3' ' A' ' 106' ' ' LYS . 6.5 tt0 -63.94 -34.66 78.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.9 m -57.05 -42.55 80.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -62.09 -41.67 98.43 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.645 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -65.98 -38.87 89.64 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.353 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.1 m -65.57 -41.69 92.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.463 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -91.42 7.24 80.4 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.45 -43.78 96.21 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.451 179.824 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -159.93 173.29 16.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -126.45 -1.34 6.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.351 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.72 -82.99 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.862 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 66.5 157.46 0.11 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.776 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -149.71 -46.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.173 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.403 ' H ' ' H ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -167.18 3.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.604 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 7' ' ' HIS . . . 94.63 -169.41 28.66 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -140.69 -13.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.576 0.227 . . . . 0.0 110.785 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.33 119.76 39.38 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -126.99 118.96 25.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.785 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.4 pt -79.75 -177.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.074 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -126.03 136.22 52.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.246 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.05 137.48 53.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.955 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.7 ttpp -127.55 115.53 18.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.8 p -68.14 167.5 14.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.174 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.699 HD11 HD21 ' A' ' 103' ' ' LEU . 12.4 tp -66.36 -16.95 64.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.293 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -85.48 -19.94 30.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.378 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.66 44.55 1.94 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.99 -0.444 . . . . 0.0 111.99 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 29.4 tptp -105.13 115.37 30.16 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -82.94 123.4 29.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 39' ' ' ILE . 35.4 mt -131.68 128.31 60.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 m -102.83 127.39 50.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.22 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -132.43 136.47 46.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.989 -179.52 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.96 97.71 5.42 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.189 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.2 m -131.13 -172.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.406 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.515 ' O ' HD12 ' A' ' 65' ' ' LEU . 4.5 mm-40 -106.28 156.93 17.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.062 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -66.2 -12.63 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.621 ' HA ' ' H ' ' A' ' 66' ' ' SER . 91.2 p -121.67 -0.14 9.74 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.02 124.65 10.46 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.431 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 17.9 p -53.91 157.42 2.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.668 0.271 . . . . 0.0 110.766 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 32' ' ' ILE . 29.1 mm -54.58 -42.23 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.37 -47.84 37.04 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.769 0.318 . . . . 0.0 110.253 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -64.37 -37.02 86.03 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.781 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.3 -48.93 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.454 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -62.15 -61.64 2.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.216 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.456 ' N ' ' HB3' ' A' ' 47' ' ' PRO . 21.7 t -48.45 -51.38 27.22 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.85 0.357 . . . . 0.0 110.258 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -48.96 -33.88 11.83 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.594 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -67.9 -42.41 85.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 179.283 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -58.83 -27.27 64.95 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.621 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 2.7 t70 -71.33 -27.24 63.24 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -92.32 -38.66 11.92 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.042 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -116.61 5.27 13.24 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 71.6 -44.05 0.77 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.09 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.483 ' HB ' HE22 ' A' ' 50' ' ' GLN . 93.2 mt -44.31 128.44 4.67 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 120.674 0.273 . . . . 0.0 111.473 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -52.05 139.0 52.8 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.095 2.53 . . . . 0.0 112.746 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.456 ' HB3' ' N ' ' A' ' 37' ' ' SER . 2.4 Cg_endo -54.05 -33.01 71.64 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.845 2.363 . . . . 0.0 112.368 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -70.77 -11.32 60.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.526 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -92.69 -12.44 31.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.953 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.483 HE22 ' HB ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -111.6 154.69 24.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.18 0.514 . . . . 0.0 111.326 -179.506 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -131.61 157.38 43.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.138 179.108 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.624 ' HB3' HD12 ' A' ' 59' ' ' LEU . 3.9 mm? -114.05 110.81 20.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.162 -0.311 . . . . 0.0 110.162 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.59 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -113.01 120.0 61.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.468 ' HB2' HD11 ' A' ' 59' ' ' LEU . 1.4 t90 -141.08 140.09 34.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.973 0.416 . . . . 0.0 110.765 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.514 ' H ' ' CD1' ' A' ' 105' ' ' LEU . . . 54.46 54.08 9.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.286 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.649 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 56.41 2.09 0.39 Allowed Glycine 0 CA--C 1.529 0.956 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.695 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 55' ' ' ALA . 3.5 mmmm -115.09 137.39 52.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.275 0.538 . . . . 0.0 111.254 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -82.16 125.58 31.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.944 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.624 HD12 ' HB3' ' A' ' 52' ' ' LEU . 9.5 mt -92.27 155.77 17.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.384 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -133.09 171.27 14.22 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.951 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -52.55 -35.8 54.35 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.813 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.96 -21.33 69.55 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -85.38 152.87 22.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.743 0.306 . . . . 0.0 110.307 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 31' ' ' THR . 38.6 p -118.07 161.87 19.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 27' ' ' GLU . 10.7 mt -61.82 -40.82 96.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.962 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.621 ' H ' ' HA ' ' A' ' 29' ' ' SER . 42.5 t -67.1 -9.61 41.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.084 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.8 -44.98 90.91 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.079 0.466 . . . . 0.0 109.936 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.53 -3.97 26.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 75.08 63.76 0.06 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.278 0.561 . . . . 0.0 109.935 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.2 mm -93.58 138.02 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.698 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -121.81 177.62 5.2 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.753 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -58.47 -50.87 72.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.576 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.08 45.41 0.63 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.693 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.2 p -121.68 153.31 38.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.78 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.5 m -111.62 108.66 18.22 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.368 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.04 137.88 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.487 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -95.5 109.55 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.525 HD13 HG13 ' A' ' 39' ' ' ILE . 3.5 tt -100.38 142.36 31.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.81 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.617 HG13 HD11 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -107.58 145.07 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.839 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD11 HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -121.62 105.61 10.59 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.638 -179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 -65.03 175.29 1.61 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.809 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -112.66 109.67 19.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.711 -179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -74.15 -28.53 61.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.322 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.87 90.53 0.21 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 170.5 108.32 0.21 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.1 p 47.71 44.02 17.22 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 110.804 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -28.38 67.9 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.935 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.99 114.15 3.85 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 168.84 -161.85 35.58 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.4 -46.03 29.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.886 0.374 . . . . 0.0 110.35 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -106.16 98.4 8.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.63 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.404 ' HB2' ' CD ' ' A' ' 95' ' ' GLU . 2.2 m-20 -88.19 -103.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.951 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.57 ' O ' HD22 ' A' ' 96' ' ' LEU . 7.2 tt0 -126.23 -36.0 2.36 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.109 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -112.42 -44.57 3.35 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.351 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.404 ' CD ' ' HB2' ' A' ' 92' ' ' ASP . 2.3 pm0 -62.33 -9.65 8.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.846 0.355 . . . . 0.0 110.684 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.7 HD23 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -76.38 -10.35 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.871 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.7 ' N ' HD23 ' A' ' 96' ' ' LEU . 1.5 mt -95.83 -52.11 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.506 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -60.91 -34.97 75.48 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.687 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.9 OUTLIER -80.07 -29.65 39.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.61 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.83 -26.63 65.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.649 HG23 ' HA2' ' A' ' 56' ' ' GLY . 48.4 mt -84.82 -30.18 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.351 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -92.83 -12.02 32.18 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.628 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.813 HD12 ' N ' ' A' ' 104' ' ' SER . 2.6 pp -97.12 -69.66 0.75 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 119.129 -1.028 . . . . 0.0 113.267 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.813 ' N ' HD12 ' A' ' 103' ' ' LEU . 99.8 p -99.59 -10.35 22.14 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 3.6 mm? -93.15 -39.99 10.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 1.2 pptp? -55.88 -24.77 39.09 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.454 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.42 ' HG2' ' H ' ' A' ' 107' ' ' GLU . 6.6 pt-20 -91.58 -24.8 19.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.13 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.5 t -74.67 -6.54 49.27 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.732 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.8 mtm-85 -52.85 -26.25 14.09 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -57.43 -40.03 77.49 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.468 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 t -68.0 -25.89 65.63 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.576 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -68.75 -8.5 57.21 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -77.49 -16.71 80.02 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.223 -0.33 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.691 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -61.47 -36.98 81.97 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.518 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -68.95 92.97 0.53 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.365 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -81.67 93.38 6.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.778 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -100.09 125.1 46.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.27 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.58 172.56 17.64 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -163.3 13.31 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.611 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -109.62 101.37 1.45 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -165.82 150.28 8.31 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -127.09 123.41 36.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.225 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.458 HE21 HG21 ' A' ' 23' ' ' THR . 7.5 pt20 -118.51 119.4 34.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.475 HG22 ' HA ' ' A' ' 72' ' ' ARG . 36.8 pt -82.04 -174.77 0.21 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.436 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -125.2 134.77 52.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.569 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.29 129.59 55.55 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -122.42 119.39 30.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.462 . . . . 0.0 111.237 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 p -73.86 158.62 34.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.198 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 17' ' ' LEU . 15.6 tp -62.34 -17.68 59.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.432 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.3 p -79.54 -18.89 50.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.503 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.58 33.48 4.76 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.35 120.27 41.17 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -87.94 132.35 34.26 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.508 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.851 HD13 HD11 ' A' ' 39' ' ' ILE . 21.6 mt -132.57 124.68 51.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.546 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.458 HG21 HE21 ' A' ' 11' ' ' GLN . 89.9 m -104.49 123.57 47.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.303 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.48 140.1 48.24 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -76.65 108.28 9.54 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.482 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.418 ' CG2' HG23 ' A' ' 12' ' ' ILE . 34.1 m -133.13 141.77 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.73 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.684 ' O ' HD12 ' A' ' 65' ' ' LEU . 8.1 mm-40 -68.15 161.55 26.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.059 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 t -61.96 -23.04 66.14 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.258 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.609 ' HA ' ' H ' ' A' ' 66' ' ' SER . 90.9 p -115.64 4.23 14.07 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -178.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.19 158.76 0.23 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.752 0.31 . . . . 0.0 110.724 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.2 p -100.51 165.14 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.395 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.526 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 42.7 mm -52.85 -48.97 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.065 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -43.5 -44.7 6.12 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -65.4 -37.07 85.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.037 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' ILE . 61.8 t -64.14 -49.75 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.914 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -59.74 -62.54 1.8 Allowed 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.063 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.5 p -46.25 -48.48 17.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.909 0.385 . . . . 0.0 110.319 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -53.54 -31.16 45.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.302 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.851 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -68.31 -47.71 76.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.744 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.482 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 2.3 pt20 -63.91 -21.61 66.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.794 0.331 . . . . 0.0 110.95 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -77.39 -36.57 53.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.077 0.465 . . . . 0.0 109.787 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -90.28 -37.49 14.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.394 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' A' ' 45' ' ' ILE . 8.3 mp0 -118.41 6.65 11.82 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 70.69 -44.67 0.64 Allowed Glycine 0 CA--C 1.529 0.934 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.81 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.604 HG21 HE21 ' A' ' 50' ' ' GLN . 79.4 mt -38.77 123.89 1.19 Allowed Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 2.6 Cg_endo -48.0 140.67 18.45 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.994 2.463 . . . . 0.0 112.403 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -63.62 -39.35 35.73 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.551 2.167 . . . . 0.0 112.138 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.67 -44.18 91.19 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.723 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -57.69 -10.17 1.49 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.684 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.604 HE21 HG21 ' A' ' 45' ' ' ILE . 22.6 mt-30 -113.41 156.23 23.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.868 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -140.63 168.53 19.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.73 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.706 HD12 HD12 ' A' ' 76' ' ' LEU . 1.3 mm? -121.52 109.13 14.44 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -112.8 124.65 69.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.47 ' HB3' HD11 ' A' ' 59' ' ' LEU . 20.0 t-105 -156.21 136.24 12.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.032 0.444 . . . . 0.0 110.74 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.656 ' HA ' HD11 ' A' ' 105' ' ' LEU . . . 71.24 41.45 0.77 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.982 179.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.584 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 62.49 2.21 4.13 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.547 178.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -125.76 138.68 53.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.054 0.454 . . . . 0.0 110.795 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -73.96 126.72 31.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.459 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.654 HD12 ' HB3' ' A' ' 52' ' ' LEU . 71.3 mt -76.84 139.03 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.746 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -94.37 142.41 27.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.177 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.526 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -49.95 -22.93 1.72 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.56 -179.22 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.4 -0.62 67.44 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 149.01 34.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.796 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -113.33 170.95 7.86 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.684 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.8 mt -84.18 -36.56 22.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.754 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.609 ' H ' ' HA ' ' A' ' 29' ' ' SER . 14.2 p -73.21 -9.6 58.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.696 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.66 -61.57 2.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.02 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -96.8 0.44 49.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.641 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 73.01 36.4 0.87 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.123 0.487 . . . . 0.0 110.006 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 27.3 mt -54.05 119.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -94.09 152.27 18.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HA ' HG22 ' A' ' 12' ' ' ILE . 16.4 ptt180 -46.95 -40.07 13.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.979 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -78.27 50.34 0.91 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.5 t -127.9 151.02 49.6 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.4 m -107.86 105.98 16.04 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.82 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.706 HD12 HD12 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -89.06 123.41 33.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.293 -179.088 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -76.96 105.74 8.22 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 tt -99.52 132.86 44.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.139 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.761 HG13 HD13 ' A' ' 96' ' ' LEU . 2.1 t -97.6 143.01 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.883 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.501 HD21 HG21 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -124.15 97.63 5.42 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.467 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.512 HH11 HH22 ' A' ' 83' ' ' ARG . 12.5 ptt180 -78.92 171.52 15.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.576 HD23 ' H ' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -92.53 143.78 26.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.987 -179.463 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.576 ' H ' HD23 ' A' ' 82' ' ' LEU . 4.1 mmt-85 -116.01 -27.56 6.91 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.08 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.05 -82.9 0.05 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.28 171.23 30.77 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.0 t 67.6 102.69 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.857 0.36 . . . . 0.0 110.814 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 ttp -98.83 -48.76 4.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.554 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.7 -107.03 3.35 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.15 -97.68 0.11 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.68 -48.65 77.16 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.446 ' HB1' ' HB3' ' A' ' 96' ' ' LEU . . . -96.74 127.37 42.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.167 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -135.22 -61.47 0.74 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.674 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.739 ' O ' HD11 ' A' ' 96' ' ' LEU . 4.3 tm-20 -160.43 -62.62 0.06 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.341 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.26 -45.47 10.59 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.457 ' HG2' ' H ' ' A' ' 96' ' ' LEU . 2.1 pm0 -53.27 -58.83 5.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.756 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.002 HD12 ' N ' ' A' ' 97' ' ' ILE . 2.1 pp -39.27 -29.5 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 1.002 ' N ' HD12 ' A' ' 96' ' ' LEU . 1.6 mt -84.68 -62.94 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.336 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.468 ' N ' HG22 ' A' ' 97' ' ' ILE . 2.8 ptp180 -56.08 -32.61 64.3 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 103' ' ' LEU . 0.2 OUTLIER -66.54 -71.34 0.2 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -38.79 -29.58 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.885 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.477 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 81.5 mt -76.74 -40.56 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-O 120.955 0.407 . . . . 0.0 110.862 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 99' ' ' LYS . 1.3 mp0 -85.67 -21.15 28.5 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 104' ' ' SER . 1.0 OUTLIER -97.19 -68.36 0.8 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -178.39 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.654 ' N ' HD12 ' A' ' 103' ' ' LEU . 15.6 m -84.73 -11.66 55.36 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.675 HD12 HH11 ' A' ' 109' ' ' ARG . 0.1 OUTLIER -88.63 -39.7 13.87 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.079 -179.348 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -74.62 -12.44 60.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.124 0.487 . . . . 0.0 109.961 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -90.94 -20.81 21.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.097 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.7 t -94.2 -33.81 13.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.368 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.675 HH11 HD12 ' A' ' 105' ' ' LEU . 13.7 mmt85 -71.27 -6.87 43.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.649 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.465 HD22 ' N ' ' A' ' 110' ' ' ASN . 0.1 OUTLIER -60.59 -27.76 67.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.713 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.4 t -71.11 -12.42 61.49 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.672 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.31 -22.93 57.09 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.45 -37.43 81.96 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.489 179.697 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpp . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -59.91 -48.92 79.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.609 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -112.51 -40.68 4.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.515 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -74.56 126.45 30.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.771 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.445 ' H ' ' CD2' ' A' ' 5' ' ' HIS . 0.4 OUTLIER -79.03 -124.11 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.246 179.769 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 t60 65.63 104.69 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.912 0.387 . . . . 0.0 111.033 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -159.45 105.84 1.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.21 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.91 54.02 0.03 OUTLIER Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -136.67 44.35 2.37 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.99 121.63 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.911 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.49 ' HB3' HG22 ' A' ' 23' ' ' THR . 0.7 OUTLIER -121.11 113.51 20.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.589 -179.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 24' ' ' LEU . 41.6 pt -74.51 178.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.244 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -129.53 134.91 48.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.932 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -120.77 141.72 50.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.22 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -132.11 120.07 21.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.998 0.428 . . . . 0.0 110.961 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 37.4 p -80.23 175.91 10.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.762 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 17' ' ' LEU . 2.7 tm? -54.82 -48.78 72.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.331 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -59.08 -21.05 58.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.047 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.35 38.25 4.84 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 9.6 tmtt? -91.83 120.28 32.39 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -86.02 125.17 33.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.816 0.341 . . . . 0.0 110.67 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.694 HD13 HD11 ' A' ' 39' ' ' ILE . 28.3 mt -132.64 128.94 58.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.544 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.49 HG22 ' HB3' ' A' ' 11' ' ' GLN . 44.7 m -105.66 129.15 53.95 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.6 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -132.76 138.83 47.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 111.13 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.9 113.67 12.47 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.188 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 12' ' ' ILE . 29.2 m -146.85 -169.27 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 121.093 0.473 . . . . 0.0 111.405 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.666 ' O ' HD12 ' A' ' 65' ' ' LEU . 1.6 mp0 -115.27 164.31 14.43 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.188 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -17.85 64.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.804 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.563 ' HA ' ' H ' ' A' ' 66' ' ' SER . 4.0 m -116.26 4.86 13.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.0 153.1 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.642 0.258 . . . . 0.0 110.407 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 37.1 p -94.78 156.86 16.19 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.589 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.486 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 33.5 mm -54.49 -52.79 36.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.256 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -48.45 -41.33 29.2 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.836 0.351 . . . . 0.0 110.219 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -71.42 -40.36 70.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.493 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.9 t -59.4 -46.28 92.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.355 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' HG22 ' A' ' 39' ' ' ILE . 54.6 mtmt -62.46 -62.35 1.81 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.192 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.6 p -47.08 -50.83 19.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.936 0.398 . . . . 0.0 110.237 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -51.29 -34.03 31.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.137 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.694 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -72.63 -42.27 62.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.5 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.4 -27.05 55.18 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.592 -179.652 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.5 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 25.4 t70 -70.41 -25.52 63.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.81 -40.15 10.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.216 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -114.55 3.63 14.93 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 73.8 -42.99 1.13 Allowed Glycine 0 CA--C 1.53 0.969 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.167 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.411 ' HB ' ' NE2' ' A' ' 50' ' ' GLN . 14.6 mt -42.22 120.18 2.36 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-O 120.589 0.233 . . . . 0.0 111.335 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.01 139.09 42.57 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.995 2.463 . . . . 0.0 112.649 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -49.21 -46.76 24.56 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 123.153 2.568 . . . . 0.0 112.569 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.48 -43.68 98.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.677 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -59.95 -13.45 11.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.471 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.44 HE22 ' CG2' ' A' ' 39' ' ' ILE . 60.5 mt-30 -114.4 158.83 21.0 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.12 0.486 . . . . 0.0 111.28 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -147.89 163.24 37.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.994 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 53' ' ' ILE . 5.0 mp -121.33 128.31 52.15 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.671 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.3 mp -116.29 123.61 71.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -148.72 135.65 19.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.048 0.452 . . . . 0.0 111.147 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.635 ' H ' HD21 ' A' ' 105' ' ' LEU . . . 66.65 46.91 1.68 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.778 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.592 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 60.67 2.82 2.67 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.448 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -129.29 132.96 47.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.014 0.407 . . . . 0.0 110.94 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.75 122.51 16.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.458 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.406 HD21 ' OH ' ' A' ' 68' ' ' TYR . 5.2 mt -67.82 125.07 25.09 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.738 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.66 128.92 36.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.814 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.486 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -51.1 -18.94 0.95 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.24 -178.698 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.41 -3.58 86.66 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.443 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -84.35 170.0 14.06 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.025 0.441 . . . . 0.0 111.056 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 31' ' ' THR . 68.7 p -118.32 178.91 4.27 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.882 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 27' ' ' GLU . 6.7 mt -80.1 -38.07 32.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.966 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.563 ' H ' ' HA ' ' A' ' 29' ' ' SER . 36.0 t -65.04 -9.14 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.19 -28.1 24.97 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.966 0.413 . . . . 0.0 110.211 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.406 ' OH ' HD21 ' A' ' 59' ' ' LEU . 10.7 m-85 -125.74 -3.58 7.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.335 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t30 77.58 38.66 0.2 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.421 0.629 . . . . 0.0 109.643 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.571 HG23 ' CB ' ' A' ' 74' ' ' SER . 8.2 mt -66.56 115.7 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.44 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -84.35 -135.09 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.462 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.37 -39.82 7.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.232 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -84.19 44.83 1.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.219 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.571 ' CB ' HG23 ' A' ' 70' ' ' ILE . 94.9 p -102.7 140.09 37.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.998 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.4 m -101.61 97.06 7.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.867 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.402 HD22 HD12 ' A' ' 12' ' ' ILE . 3.5 mp -82.0 156.94 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.799 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -117.46 109.44 16.76 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.562 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 16' ' ' THR . 4.4 tt -107.99 139.23 42.92 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 96' ' ' LEU . 2.1 t -106.94 126.22 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.187 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 80' ' ' LEU . 34.2 mt -97.82 102.34 14.07 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.646 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.4 ptt85 -66.79 144.49 56.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.387 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tp -81.23 106.78 13.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.385 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -27.88 69.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.726 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.91 -166.42 42.51 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.31 -87.81 0.05 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.8 t -148.45 126.21 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.666 0.269 . . . . 0.0 110.345 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.6 ttm -80.36 -18.94 47.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.565 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.73 -11.06 15.39 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -78.83 -137.71 1.34 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.68 -71.18 0.36 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.736 0.303 . . . . 0.0 110.586 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.71 126.78 33.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.377 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -142.73 34.9 1.42 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.64 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 94' ' ' GLU . 0.5 OUTLIER 59.17 69.39 0.72 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.664 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 1.009 ' H ' HD22 ' A' ' 96' ' ' LEU . 23.0 tt0 156.73 -82.48 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.462 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.431 ' N ' ' HG2' ' A' ' 94' ' ' GLU . 7.4 pt-20 -63.25 -10.26 14.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.274 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.009 HD22 ' H ' ' A' ' 94' ' ' GLU . 0.6 OUTLIER -70.71 -11.13 60.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.772 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.715 ' N ' HD23 ' A' ' 96' ' ' LEU . 1.8 mt -95.24 -53.81 7.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 120.704 0.288 . . . . 0.0 110.347 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.0 ptt85 -66.79 -39.49 87.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.976 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 10.9 ptmm? -65.43 -30.72 71.55 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.184 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.76 -26.07 49.59 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.723 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.543 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 42.9 mt -78.44 -29.25 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -93.93 -11.22 31.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.295 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -90.24 -73.96 0.51 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -177.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.5 t -97.82 -11.52 23.21 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.635 HD21 ' H ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -76.49 -37.65 56.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.788 0.328 . . . . 0.0 110.694 -179.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -81.36 -36.36 29.73 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.105 0.479 . . . . 0.0 109.982 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -56.1 -41.92 75.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.131 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.8 t -72.4 -28.13 62.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.339 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -74.09 -4.01 32.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.758 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -53.94 -40.29 66.66 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.618 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -64.19 -34.14 77.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.391 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.74 -28.58 73.76 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.32 -25.1 59.88 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.515 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptm . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.3 m80 64.06 172.95 0.18 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.41 -58.69 0.57 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.817 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -134.88 141.21 46.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.873 0.368 . . . . 0.0 110.569 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -147.15 149.26 32.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -147.01 171.88 14.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.614 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.13 9.18 1.1 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.486 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.73 126.54 5.86 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -79.99 -155.15 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.787 0.327 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -109.25 121.7 45.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.969 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' N ' ' NE2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -124.08 113.79 18.84 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.398 -179.616 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.446 HG12 HG22 ' A' ' 26' ' ' VAL . 17.7 pt -76.43 175.98 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.837 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.17 131.94 54.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.86 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.32 145.25 48.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.02 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.12 118.22 19.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.817 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.425 HG22 HD22 ' A' ' 78' ' ' LEU . 36.7 p -64.63 162.53 15.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.07 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.547 HD23 ' CB ' ' A' ' 91' ' ' ALA . 12.8 tp -67.6 -10.15 49.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.272 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -88.67 -15.4 35.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.53 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.14 24.55 8.91 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.87 126.5 42.06 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -91.16 127.99 36.81 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.759 0.314 . . . . 0.0 111.046 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.605 HD13 HD11 ' A' ' 39' ' ' ILE . 15.0 mt -133.59 132.46 57.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.546 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 m -107.2 130.42 54.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.229 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.26 140.14 48.52 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.63 106.32 10.52 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.678 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG22 HG12 ' A' ' 12' ' ' ILE . 3.3 m -130.42 -172.76 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.093 0.473 . . . . 0.0 111.222 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.544 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.8 mm-40 -113.28 163.73 14.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.024 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 30.3 t -65.0 -18.02 64.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.084 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.607 ' HA ' ' H ' ' A' ' 66' ' ' SER . 83.5 p -119.09 4.51 11.35 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.49 154.01 0.32 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.449 HG22 HG22 ' A' ' 64' ' ' THR . 27.9 p -98.51 160.92 13.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.628 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.452 HD11 HD22 ' A' ' 59' ' ' LEU . 14.9 mm -53.19 -50.69 45.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.247 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -45.33 -45.58 12.45 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.788 0.328 . . . . 0.0 110.328 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -65.14 -36.77 85.28 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.648 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.8 t -62.77 -45.9 97.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HG2' HE22 ' A' ' 50' ' ' GLN . 37.2 mttp -59.02 -63.98 1.11 Allowed 'General case' 0 C--N 1.334 -0.081 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.858 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.0 p -49.56 -50.73 41.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.624 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -48.59 -32.92 8.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.27 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.605 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -71.36 -42.06 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.397 179.538 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -57.32 -27.23 62.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.841 0.353 . . . . 0.0 110.646 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -73.42 -27.72 61.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -91.06 -40.67 11.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.422 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' A' ' 45' ' ' ILE . 34.1 mt-10 -123.13 7.68 9.18 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 74.04 -34.46 0.91 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.487 ' H ' ' C ' ' A' ' 43' ' ' GLU . 36.3 mm -37.5 121.26 0.92 Allowed Pre-proline 0 N--CA 1.464 0.271 0 CA-C-O 120.581 0.229 . . . . 0.0 111.294 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -62.17 134.68 50.37 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.161 1.907 . . . . 0.0 111.664 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -47.95 -34.21 22.04 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 123.002 2.468 . . . . 0.0 112.692 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -78.29 -41.44 33.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.312 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -63.53 -16.81 61.79 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.074 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.426 HE22 ' HG2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -115.42 159.66 20.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.886 0.374 . . . . 0.0 110.944 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.35 163.99 29.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.937 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -133.93 129.09 35.81 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.037 0.446 . . . . 0.0 111.444 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.619 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -120.44 134.43 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.666 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.414 ' HB3' HD11 ' A' ' 59' ' ' LEU . 1.1 t-105 -151.89 137.97 18.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.001 0.429 . . . . 0.0 111.192 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.605 ' N ' HD21 ' A' ' 105' ' ' LEU . . . 59.17 46.77 12.62 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.709 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.489 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 63.29 -5.73 0.6 Allowed Glycine 0 CA--C 1.528 0.864 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.317 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 55' ' ' ALA . 23.9 ttpt -118.78 126.68 52.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.971 0.415 . . . . 0.0 110.631 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.24 127.82 33.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.963 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.587 HD12 ' HB3' ' A' ' 52' ' ' LEU . 22.2 mt -64.82 114.44 4.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.377 . . . . 0.0 110.773 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.6 143.73 28.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -45.14 -38.5 5.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.403 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.38 -1.04 68.72 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.246 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -84.22 147.93 27.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.449 HG22 HG22 ' A' ' 31' ' ' THR . 41.2 p -115.61 -178.0 3.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.457 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.7 mt -92.35 -38.73 11.87 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.394 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.607 ' H ' ' HA ' ' A' ' 29' ' ' SER . 25.5 t -69.34 -9.69 54.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.513 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.456 ' CG ' ' N ' ' A' ' 68' ' ' TYR . 16.0 p-10 -52.84 -57.3 10.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.371 . . . . 0.0 110.112 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.456 ' N ' ' CG ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -95.6 0.78 53.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.728 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 72.8 35.99 0.97 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.235 0.54 . . . . 0.0 110.146 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.67 119.98 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.5 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -156.27 0.06 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.886 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.462 ' C ' ' H ' ' A' ' 74' ' ' SER . 18.3 ptt85 -98.68 -38.07 9.25 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.31 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -77.85 27.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.959 0.409 . . . . 0.0 110.124 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.462 ' H ' ' C ' ' A' ' 72' ' ' ARG . 5.6 m -89.02 146.17 25.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.796 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.8 m -102.91 104.24 14.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.221 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mp -82.85 143.28 30.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.476 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -107.56 108.39 19.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.512 HD12 HD11 ' A' ' 52' ' ' LEU . 5.5 tt -104.61 142.33 34.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.286 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.407 HG21 HD13 ' A' ' 53' ' ' ILE . 27.5 m -120.82 145.49 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.8 mt -114.56 139.41 49.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.679 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -78.54 -179.19 6.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.557 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.498 HD13 ' H ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -140.49 89.55 2.29 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.616 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.14 -5.2 55.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.556 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.498 ' H ' HD13 ' A' ' 82' ' ' LEU . . . -73.56 174.41 48.11 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.39 -27.84 21.53 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.1 t -87.05 122.92 31.54 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.766 0.317 . . . . 0.0 110.815 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 69.9 mtm -95.97 3.62 53.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.349 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -50.42 99.47 0.03 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 149.78 146.81 4.4 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -47.77 -71.51 0.07 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.784 0.326 . . . . 0.0 110.542 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.547 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -79.05 150.11 31.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.167 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.434 ' C ' ' HB2' ' A' ' 82' ' ' LEU . 42.5 m-20 -140.79 -121.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.531 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.782 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.5 tt0 -99.14 -49.72 4.4 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.212 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.43 ' HG3' ' H ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -96.74 -48.24 5.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.214 -179.282 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 97' ' ' ILE . 1.9 mt-10 -48.66 -44.63 37.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.973 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.782 HD22 ' O ' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -34.54 -28.44 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -178.259 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.705 ' H ' HD23 ' A' ' 96' ' ' LEU . 2.4 mt -81.96 -59.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.615 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -64.38 -27.88 69.31 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -69.07 -44.45 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.169 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.63 -22.88 60.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.563 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.441 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 45.6 mt -78.82 -34.27 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.438 ' HA ' ' HG2' ' A' ' 106' ' ' LYS . 0.8 OUTLIER -93.61 -12.23 29.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.387 179.677 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 17' ' ' LEU . 20.9 mt -93.81 -73.45 0.57 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.9 p -90.97 -11.36 39.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.605 HD21 ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -84.91 -32.81 22.93 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.361 -179.086 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.438 ' HG2' ' HA ' ' A' ' 102' ' ' GLU . 24.6 mmtt -86.51 -22.77 26.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.04 0.448 . . . . 0.0 110.234 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.71 -29.42 70.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.717 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.8 t -92.09 -17.88 24.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.543 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.3 -57.16 4.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.815 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -61.14 -41.55 96.95 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.667 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.2 t -71.56 -30.1 65.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.366 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.05 -2.83 89.21 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.41 -26.84 59.93 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.468 179.866 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mtt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -76.79 -88.73 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -114.52 -135.64 0.36 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.175 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -156.08 114.55 3.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.74 0.305 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -29.86 22.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.158 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.401 ' CE1' ' HD1' ' A' ' 7' ' ' HIS . 0.5 OUTLIER 55.18 -161.47 0.16 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.565 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' A' ' 8' ' ' GLY . 32.0 p-80 -81.04 -126.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.026 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.406 ' H ' ' CD2' ' A' ' 7' ' ' HIS . . . -61.78 156.05 36.77 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -146.04 159.85 42.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.679 0.276 . . . . 0.0 110.419 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.3 120.22 40.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.035 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.457 ' HB3' HG22 ' A' ' 23' ' ' THR . 12.2 mt-30 -125.3 113.68 17.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.458 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.56 HD12 HD22 ' A' ' 76' ' ' LEU . 28.4 pt -74.15 179.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.271 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -127.22 136.5 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.288 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.79 143.43 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.254 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -123.63 117.78 25.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.748 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.536 HG22 HD22 ' A' ' 78' ' ' LEU . 41.1 p -67.11 168.41 10.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.181 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.612 HD11 HD21 ' A' ' 103' ' ' LEU . 14.0 tp -66.25 -15.79 63.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.236 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.9 p -85.15 -20.53 30.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.492 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.59 40.44 3.17 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 8.7 tmtm? -104.43 127.35 52.1 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.64 122.54 30.7 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.816 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.687 HD13 HD11 ' A' ' 39' ' ' ILE . 9.0 mt -132.92 132.47 59.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.417 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 11' ' ' GLN . 12.3 m -100.58 132.24 46.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.132 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 mt -123.96 127.29 47.72 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.051 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -76.14 97.21 4.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.172 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.435 HG22 HG12 ' A' ' 12' ' ' ILE . 10.8 m -132.37 -170.14 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.164 0.507 . . . . 0.0 111.695 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.662 ' O ' HD12 ' A' ' 65' ' ' LEU . 14.3 mt-10 -107.23 156.64 18.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.71 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.7 p -64.19 -15.72 60.47 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.055 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.664 ' HA ' ' H ' ' A' ' 66' ' ' SER . 14.3 t -121.59 3.53 10.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.352 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.02 164.14 0.05 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.731 0.3 . . . . 0.0 110.792 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.2 p -96.91 161.24 13.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.429 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 29.3 mm -52.05 -46.56 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.57 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -47.6 -40.04 18.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -68.92 -43.14 75.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.679 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -65.4 -39.72 86.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.56 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.515 ' HA ' ' NE2' ' A' ' 50' ' ' GLN . 13.2 mttp -65.78 -63.63 1.04 Allowed 'General case' 0 N--CA 1.458 -0.046 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.071 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 98.9 p -46.77 -48.75 20.53 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.969 0.414 . . . . 0.0 110.051 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -52.71 -35.51 55.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.044 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.687 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -67.14 -47.29 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.721 179.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.491 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -58.27 -25.87 62.29 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.035 -179.261 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.491 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 21.7 t70 -74.39 -26.21 59.96 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -91.64 -39.31 11.93 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.341 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 45' ' ' ILE . 33.6 mt-10 -120.02 5.91 10.85 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.22 -41.01 1.28 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.437 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 11.5 mm -40.22 110.17 0.65 Allowed Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 122.128 0.171 . . . . 0.0 111.147 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 3.1 Cg_exo -50.3 144.6 23.2 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.415 2.076 . . . . 0.0 112.142 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -49.17 -33.89 29.04 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.971 2.447 . . . . 0.0 112.336 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -76.52 -41.53 46.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.283 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -58.81 -18.44 32.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.318 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.584 ' NE2' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -119.71 165.51 14.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.382 . . . . 0.0 111.019 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -142.11 171.48 13.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.834 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -129.83 118.41 21.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.934 0.397 . . . . 0.0 110.422 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.654 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -113.47 122.85 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.561 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -130.93 131.58 44.55 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.036 0.446 . . . . 0.0 111.192 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.478 ' H ' ' CD1' ' A' ' 105' ' ' LEU . . . 55.25 59.49 3.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.783 179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.7 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 55.65 4.24 0.59 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-N 116.2 -0.454 . . . . 0.0 112.99 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -122.6 135.74 54.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 117.292 0.546 . . . . 0.0 110.94 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -72.32 130.21 40.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.836 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 52' ' ' LEU . 48.0 mt -79.3 134.29 36.63 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.728 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -90.67 140.71 29.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.409 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.471 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 6.1 p-10 -48.93 -30.23 5.68 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.455 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.97 -1.9 85.86 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -77.39 152.48 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.884 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 p -113.94 162.22 16.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.465 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.4 mt -70.68 -44.67 66.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.549 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.664 ' H ' ' HA ' ' A' ' 29' ' ' SER . 23.7 t -65.6 -9.9 30.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.134 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.68 -61.06 2.55 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.54 -0.41 50.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.255 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 77.51 49.3 0.05 OUTLIER 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.063 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.462 HG21 HD22 ' A' ' 65' ' ' LEU . 33.7 mm -78.23 116.02 21.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.52 -131.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.474 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -101.16 -42.84 6.2 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.079 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.48 85.27 2.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.4 m -131.24 151.27 51.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.542 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 m -98.58 96.8 8.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.56 HD22 HD12 ' A' ' 12' ' ' ILE . 4.3 mp -83.56 98.21 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.845 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -62.57 110.47 1.71 Allowed 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.596 HD13 HG13 ' A' ' 39' ' ' ILE . 5.3 tt -107.13 138.99 42.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.407 HG13 ' CD1' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -94.37 142.25 13.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.925 179.579 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -119.26 116.32 26.02 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.51 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.425 ' HG2' ' HG3' ' A' ' 93' ' ' GLU . 3.3 ttm-85 -82.19 -156.2 0.16 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.566 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.406 HD23 ' H ' ' A' ' 84' ' ' GLY . 0.6 OUTLIER -59.61 108.44 0.73 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.888 0.375 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -80.91 -28.28 35.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.636 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.406 ' H ' HD23 ' A' ' 82' ' ' LEU . . . 148.08 89.68 0.08 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 53.53 45.18 67.61 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 t -149.06 50.1 0.98 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.2 ptp -74.88 -40.33 61.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.544 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.87 -108.78 0.2 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -145.69 -8.09 0.34 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.406 ' HA ' ' HE3' ' A' ' 99' ' ' LYS . . . -83.3 -11.48 57.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.782 0.325 . . . . 0.0 110.666 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.83 107.55 0.05 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.717 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -122.23 44.45 2.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.725 0.298 . . . . 0.0 110.98 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 5.2 mp0 48.45 69.86 0.51 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.53 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.707 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.5 mt-10 151.49 -73.35 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -61.69 -9.14 5.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.233 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.707 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.2 pt? -69.15 -16.25 63.6 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.333 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.4 mt -95.31 -52.26 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -61.18 -35.37 76.96 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.82 0.343 . . . . 0.0 110.499 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.585 ' O ' HD23 ' A' ' 103' ' ' LEU . 3.3 ptmm? -76.26 -31.05 58.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.342 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.56 -30.2 68.92 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.7 HG23 ' HA2' ' A' ' 56' ' ' GLY . 25.6 mt -80.15 -28.96 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.274 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -92.98 -12.19 31.35 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -177.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.886 HD12 ' N ' ' A' ' 104' ' ' SER . 2.6 pp -97.18 -70.25 0.73 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 119.073 -1.051 . . . . 0.0 113.379 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.886 ' N ' HD12 ' A' ' 103' ' ' LEU . 25.6 t -99.54 -9.8 22.85 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -177.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 3.9 mm? -92.9 -45.68 7.86 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -56.35 -33.0 65.25 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.653 -179.545 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -73.86 -39.82 63.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.02 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.2 t -76.11 -14.45 60.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.439 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -58.77 -45.3 90.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.368 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -63.16 -35.51 80.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.005 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -89.15 13.85 12.22 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.271 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.69 -12.02 39.06 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -59.89 -17.18 42.4 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 92.5 t80 . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.3 179.802 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 57.6 t60 59.79 97.77 0.03 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.871 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.6 m80 54.56 73.31 0.41 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -125.95 -16.42 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.456 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.73 -168.91 1.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.691 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -92.2 89.5 6.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.58 -21.27 24.15 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.264 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.63 163.39 10.2 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -133.05 -18.31 2.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.548 0.213 . . . . 0.0 110.896 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -108.38 121.2 44.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.943 0.401 . . . . 0.0 110.874 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.482 ' HB3' HG22 ' A' ' 23' ' ' THR . 1.2 mp0 -125.36 117.15 23.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.807 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.504 HD12 HD22 ' A' ' 76' ' ' LEU . 40.8 pt -73.26 174.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.268 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -119.47 130.81 55.42 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.216 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.49 130.36 55.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.173 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HG3' ' H ' ' A' ' 16' ' ' THR . 1.1 tppt? -108.18 157.27 18.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.186 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.41 ' H ' ' HG3' ' A' ' 15' ' ' LYS . 69.5 p -112.54 164.23 13.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.402 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.764 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.3 tm? -54.23 -46.62 72.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.665 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.1 p -64.99 -21.88 66.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.838 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.51 47.74 1.49 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -105.67 131.0 53.57 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -90.23 129.65 36.45 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.022 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.84 128.07 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.298 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.482 HG22 ' HB3' ' A' ' 11' ' ' GLN . 2.8 m -108.35 128.48 54.8 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.416 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.425 HD12 HG13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -133.1 140.19 47.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.665 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.24 96.74 7.96 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 m -118.58 -178.88 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.921 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.714 ' O ' HD12 ' A' ' 65' ' ' LEU . 17.7 mm-40 -103.63 155.77 18.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.833 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.4 p -60.97 -23.05 65.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.33 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.603 ' HA ' ' H ' ' A' ' 66' ' ' SER . 1.4 m -115.15 4.05 14.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.569 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.09 160.87 0.18 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.897 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 p -98.61 158.8 15.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.459 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 40.9 mm -52.43 -48.19 46.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.513 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.25 -48.14 35.6 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.717 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -62.85 -44.45 96.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.045 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.2 t -57.34 -47.14 85.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.688 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 39' ' ' ILE . 29.2 mtpt -59.74 -62.21 2.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.061 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.4 p -45.94 -46.64 16.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.978 0.418 . . . . 0.0 109.879 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 42' ' ' LYS . 9.4 mptt -49.26 -38.68 27.77 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.7 179.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -65.11 -42.89 95.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.497 179.657 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.418 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -57.33 -27.45 62.23 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.752 0.31 . . . . 0.0 110.754 -179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.53 -27.4 61.33 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.709 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 40.2 mmtm -92.27 -40.85 10.73 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.137 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -118.64 4.98 11.61 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.81 -42.52 1.82 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.701 HG21 ' CD2' ' A' ' 80' ' ' LEU . 8.0 mm -38.01 118.72 0.96 Allowed Pre-proline 0 N--CA 1.464 0.241 0 CA-C-N 115.855 -0.173 . . . . 0.0 111.321 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.4 Cg_exo -70.59 143.49 46.97 Favored 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.199 1.933 . . . . 0.0 111.782 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -47.04 -35.68 19.32 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 123.031 2.487 . . . . 0.0 112.341 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -56.2 -32.53 64.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.025 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.411 ' HA ' ' HE ' ' A' ' 83' ' ' ARG . 3.6 tt0 -95.31 -14.64 23.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.671 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.613 ' OE1' HD21 ' A' ' 78' ' ' LEU . 17.8 mm-40 -91.79 121.41 33.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.016 0.436 . . . . 0.0 111.221 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HB3' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -114.37 147.09 39.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.297 179.317 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.489 ' HB3' HD12 ' A' ' 59' ' ' LEU . 3.4 mm? -117.56 112.95 21.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.692 0.282 . . . . 0.0 111.183 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.584 HD11 ' HG2' ' A' ' 58' ' ' GLN . 1.4 mp -114.99 123.35 70.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CB ' HD11 ' A' ' 59' ' ' LEU . 81.0 t90 -142.56 138.14 30.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.178 0.513 . . . . 0.0 110.964 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.507 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 60.11 55.08 3.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.798 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.559 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 55.84 8.09 1.96 Allowed Glycine 0 CA--C 1.529 0.915 0 CA-C-N 116.229 -0.442 . . . . 0.0 112.894 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -133.51 148.0 51.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.295 0.547 . . . . 0.0 111.26 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.584 ' HG2' HD11 ' A' ' 53' ' ' ILE . 5.5 mt-30 -76.39 122.6 24.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.849 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.495 HD11 ' CB ' ' A' ' 54' ' ' TRP . 94.8 mt -68.96 129.6 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.922 -179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.12 128.9 34.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.086 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -53.79 -20.12 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.727 -179.012 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.58 -3.85 90.52 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -77.72 159.91 28.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.408 . . . . 0.0 111.051 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.7 p -117.58 167.95 10.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.45 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.2 mt -75.82 -36.61 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.304 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.603 ' H ' ' HA ' ' A' ' 29' ' ' SER . 70.4 p -77.82 -10.57 59.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.134 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.66 -61.81 2.11 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -88.52 2.63 52.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.408 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER 77.42 12.91 2.0 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.132 0.491 . . . . 0.0 110.351 -179.626 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.8 mt -42.75 110.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.417 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -81.2 -145.38 0.05 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HA ' HG22 ' A' ' 12' ' ' ILE . 10.6 ptt180 -99.24 -40.7 7.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.175 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.77 45.12 0.49 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.415 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -113.33 143.65 44.08 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.679 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.2 m -98.81 101.93 13.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.292 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.504 HD22 HD12 ' A' ' 12' ' ' ILE . 3.8 mp -81.48 101.0 9.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.002 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -67.36 109.33 3.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.973 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.613 HD21 ' OE1' ' A' ' 50' ' ' GLN . 7.3 tt -110.57 144.97 38.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.273 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.481 ' HB ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -128.05 119.88 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.064 179.725 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.701 ' CD2' HG21 ' A' ' 45' ' ' ILE . 5.6 mt -75.17 131.75 40.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.366 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.452 ' HD3' ' NH2' ' A' ' 83' ' ' ARG . 5.3 mtt-85 -86.6 174.96 8.56 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.071 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.57 104.12 7.95 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.818 0.342 . . . . 0.0 111.075 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.452 ' NH2' ' HD3' ' A' ' 81' ' ' ARG . 56.9 mtt-85 -111.41 30.2 7.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.398 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -141.59 -170.05 12.21 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.19 -160.22 21.29 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.3 t 49.46 46.45 23.34 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.994 0.426 . . . . 0.0 110.424 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -14.24 58.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.966 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -58.75 98.02 0.09 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.25 162.36 29.13 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.406 ' C ' ' HZ2' ' A' ' 99' ' ' LYS . . . -63.89 -27.86 69.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.742 -0.229 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.596 ' HB2' ' NZ ' ' A' ' 99' ' ' LYS . . . -122.65 149.33 44.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.369 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -147.91 -111.67 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.639 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.723 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.6 tt0 -115.31 -40.46 3.43 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.332 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -106.19 -46.3 4.1 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.672 0.272 . . . . 0.0 110.889 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 7.0 pt-20 -61.29 -10.65 7.38 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.265 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.723 HD22 ' O ' ' A' ' 93' ' ' GLU . 1.1 pt? -70.12 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.954 0.406 . . . . 0.0 109.984 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.59 ' N ' HD23 ' A' ' 96' ' ' LEU . 7.4 mt -96.52 -51.87 10.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.994 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 99' ' ' LYS . 10.4 ptp180 -49.72 -43.15 47.44 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.184 -178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.669 ' CG ' ' H ' ' A' ' 100' ' ' ALA . 1.2 ptmt -74.9 -71.0 0.38 Allowed 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.967 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.669 ' H ' ' CG ' ' A' ' 99' ' ' LYS . . . -34.23 -30.6 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.499 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 26.1 mt -80.69 -50.91 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.696 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 4.1 tp10 -83.91 -9.63 58.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.455 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 99' ' ' LYS . 11.7 tp -93.73 -73.21 0.58 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.3 t -99.14 -11.15 21.66 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.559 ' HG ' ' H ' ' A' ' 56' ' ' GLY . 0.5 OUTLIER -94.09 -37.41 11.63 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.564 -0.454 . . . . 0.0 112.128 -178.472 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -75.45 -28.39 59.28 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.518 -179.755 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -60.64 -50.61 72.81 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.0 m -65.68 -23.27 66.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.07 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.469 HH21 ' C ' ' A' ' 105' ' ' LEU . 7.7 ttm180 -73.94 -29.46 62.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.171 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -77.93 -3.92 44.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.769 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 t -55.31 -38.56 68.83 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.614 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.53 -38.32 96.16 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.8 -45.71 95.95 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.521 179.783 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.62 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 0.7 OUTLIER -61.04 176.28 0.44 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.563 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.62 ' CG ' ' O ' ' A' ' 2' ' ' HIS . 11.1 p80 58.26 -34.9 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.04 0.837 . . . . 0.0 112.782 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.524 ' H ' ' C ' ' A' ' 2' ' ' HIS . 70.4 m-70 50.6 -162.36 0.06 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.694 0.283 . . . . 0.0 110.865 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.6 m80 55.33 -95.44 0.05 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 55.96 63.09 2.13 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.057 0.456 . . . . 0.0 110.614 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -75.92 -30.68 58.83 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.912 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.27 67.91 1.83 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.711 -0.955 . . . . 0.0 110.711 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -107.32 -4.79 18.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.599 0.238 . . . . 0.0 110.713 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -117.48 122.09 42.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.363 . . . . 0.0 110.167 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -125.19 117.88 24.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.685 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.0 pt -76.21 179.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.648 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -127.03 135.39 50.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.745 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.2 145.37 48.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.103 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.39 115.33 20.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.5 p -64.75 162.91 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.333 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.586 HD11 HD21 ' A' ' 103' ' ' LEU . 11.2 tp -65.9 -11.11 44.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.579 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.9 p -87.32 -19.66 27.89 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.333 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.8 35.82 4.18 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.23 132.84 50.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.589 0.233 . . . . 0.0 110.461 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.75 125.54 34.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.268 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.509 HD13 HD11 ' A' ' 39' ' ' ILE . 31.0 mt -132.62 129.03 58.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.492 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 m -106.83 129.67 54.64 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -132.46 138.45 47.6 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.012 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -80.26 107.88 13.41 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.662 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.0 m -131.81 170.68 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.246 0.546 . . . . 0.0 111.596 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.624 ' O ' HD12 ' A' ' 65' ' ' LEU . 16.2 mt-10 -87.06 159.23 19.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.885 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 11.5 t -67.05 -17.15 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.507 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.617 ' HA ' ' H ' ' A' ' 66' ' ' SER . 95.0 p -118.36 3.53 11.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.518 -178.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.49 160.83 0.1 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.814 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.623 HG22 HG22 ' A' ' 64' ' ' THR . 28.4 p -106.83 171.58 7.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.816 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.1 mm -54.55 -51.95 45.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.263 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.67 -47.42 10.56 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.558 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -64.76 -39.76 94.16 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.067 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' THR . 84.3 t -63.59 -47.25 92.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.811 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HZ2' HE21 ' A' ' 50' ' ' GLN . 0.1 OUTLIER -59.11 -64.1 1.06 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.099 179.546 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t -49.34 -48.16 46.79 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.155 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -48.22 -34.79 10.74 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.016 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.509 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -70.88 -41.83 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.614 179.688 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 44' ' ' GLY . 2.3 pt20 -55.95 -30.42 61.67 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.767 0.317 . . . . 0.0 110.496 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -23.61 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -92.11 -42.85 9.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.354 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 45' ' ' ILE . 51.2 mt-10 -123.31 7.1 9.05 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 74.64 -31.89 1.02 Allowed Glycine 0 CA--C 1.528 0.878 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.595 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.45 ' H ' ' C ' ' A' ' 43' ' ' GLU . 37.3 mm -38.48 133.81 0.98 Allowed Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.139 0.176 . . . . 0.0 111.451 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.4 Cg_exo -69.78 130.66 19.7 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.311 2.007 . . . . 0.0 111.593 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -47.99 -35.36 25.1 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.8 2.334 . . . . 0.0 112.637 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.77 -43.12 63.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' C ' ' HE ' ' A' ' 81' ' ' ARG . 20.1 tt0 -65.06 -11.86 44.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.403 HE21 ' HZ2' ' A' ' 36' ' ' LYS . 8.1 mt-30 -89.57 -176.43 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.135 0.493 . . . . 0.0 111.077 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -167.64 146.74 4.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.096 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -129.26 121.92 28.58 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.141 -179.296 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.58 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.1 mp -115.72 126.06 73.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.825 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.573 ' HB2' HD11 ' A' ' 59' ' ' LEU . 69.2 t90 -137.7 132.88 33.52 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.018 0.437 . . . . 0.0 110.756 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.429 ' N ' ' CD1' ' A' ' 105' ' ' LEU . . . 59.03 59.03 2.92 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.734 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.838 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 55.14 6.96 0.98 Allowed Glycine 0 CA--C 1.53 0.976 0 CA-C-N 116.103 -0.498 . . . . 0.0 113.127 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -132.28 139.71 48.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 117.351 0.575 . . . . 0.0 111.048 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.57 ' H ' HE21 ' A' ' 58' ' ' GLN . 0.0 OUTLIER -71.56 123.11 21.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.007 179.404 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.624 HD22 ' HG2' ' A' ' 63' ' ' ARG . 54.9 mt -65.51 124.36 22.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 mp0 -79.4 137.7 37.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.001 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -41.79 -30.96 0.27 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.861 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.42 10.72 28.02 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.624 ' HG2' HD22 ' A' ' 59' ' ' LEU . 9.9 tpt180 -83.01 137.46 34.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 110.575 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.623 HG22 HG22 ' A' ' 31' ' ' THR . 10.8 p -111.96 165.83 11.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.771 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.9 mt -80.72 -40.19 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.884 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.617 ' H ' ' HA ' ' A' ' 29' ' ' SER . 17.0 p -70.32 -9.44 56.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.941 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -52.29 -61.6 2.17 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -94.35 0.94 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.21 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.7 m120 72.95 36.3 0.89 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.355 0.598 . . . . 0.0 109.657 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.4 mt -60.81 120.13 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.933 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.407 HE21 ' HG3' ' A' ' 72' ' ' ARG . 2.6 tt0 -79.83 -143.43 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.134 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.407 ' HG3' HE21 ' A' ' 71' ' ' GLN . 9.1 ptt180 -101.5 -29.42 12.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.729 0.3 . . . . 0.0 110.311 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.47 54.6 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 m -122.76 146.34 47.6 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.9 m -101.83 98.65 8.87 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.158 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.71 96.56 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.623 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.517 ' O ' HD23 ' A' ' 52' ' ' LEU . 54.1 m-70 -61.32 106.28 0.61 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.809 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 tt -102.9 144.84 30.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.346 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.623 HG12 HD12 ' A' ' 96' ' ' LEU . 34.0 t -121.18 147.92 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.794 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.441 HD11 HG21 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -120.89 121.1 37.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.025 179.374 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.425 ' HE ' ' C ' ' A' ' 49' ' ' GLN . 9.8 ptp180 -77.86 175.52 9.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.906 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -114.11 130.4 56.58 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -27.84 69.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.602 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.95 -90.01 0.48 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.22 -69.14 0.09 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.8 t -122.84 81.35 1.86 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.96 0.41 . . . . 0.0 110.003 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.8 tmm? -65.62 -13.22 58.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.777 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.32 2.07 89.25 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -92.13 -168.42 40.41 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.11 -61.36 1.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.835 0.35 . . . . 0.0 110.367 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.433 ' CB ' HD23 ' A' ' 17' ' ' LEU . . . -99.53 130.97 45.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.453 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -139.85 -124.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.831 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.567 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 10.9 tp10 -120.4 81.25 1.73 Allowed 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.742 ' H ' HD22 ' A' ' 96' ' ' LEU . 28.8 tt0 143.3 -65.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.351 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -61.98 -9.35 6.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.742 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.4 pt? -67.59 -21.6 65.41 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.905 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.497 ' H ' HD23 ' A' ' 96' ' ' LEU . 5.3 mt -96.04 -52.64 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.593 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -60.06 -36.92 78.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.515 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.572 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -80.15 -30.29 38.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.656 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.41 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -69.95 -22.36 63.18 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.681 HG23 ' HA2' ' A' ' 56' ' ' GLY . 44.6 mt -89.59 -29.52 5.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.194 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 5.6 tt0 -93.54 -11.32 32.16 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -177.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.901 HD12 ' N ' ' A' ' 104' ' ' SER . 3.1 pp -95.27 -71.23 0.68 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 118.896 -1.122 . . . . 0.0 113.092 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.901 ' N ' HD12 ' A' ' 103' ' ' LEU . 15.0 t -100.85 -9.69 21.4 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.838 HD12 ' H ' ' A' ' 56' ' ' GLY . 3.1 mm? -89.69 -43.87 10.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.653 -177.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -61.57 -27.23 68.48 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.851 -179.597 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.98 -32.08 69.35 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.305 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.12 -33.53 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.373 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 -77.08 -24.45 51.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.733 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.405 HD21 ' HD3' ' A' ' 106' ' ' LYS . 6.8 m120 -61.42 -45.22 95.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.455 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.0 p -68.8 -24.68 64.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.542 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -69.57 -20.01 75.2 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.45 -32.77 78.71 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.508 -179.901 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 ttm . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 60.55 -152.49 0.39 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.438 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.3 m80 58.74 -173.89 0.09 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.713 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.71 34.37 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.011 0.434 . . . . 0.0 110.489 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -70.37 147.85 49.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.747 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -77.73 174.01 11.45 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.796 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -137.14 173.09 12.07 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.391 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.28 -87.01 0.94 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -173.72 110.91 0.18 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CB ' ' HB3' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -116.08 165.07 13.56 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.127 0.965 . . . . 0.0 111.758 -178.495 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -60.49 122.12 13.83 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 113.362 -1.745 . . . . 0.0 110.592 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.99 -178.45 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.682 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -130.34 138.12 50.26 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.19 150.39 45.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.995 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -132.19 122.29 25.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.956 0.407 . . . . 0.0 111.407 -179.639 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -70.88 176.31 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.131 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.685 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.5 tm? -59.95 -48.93 79.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.115 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -61.52 -20.44 63.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.074 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.14 40.21 2.89 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -92.75 123.75 36.26 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.444 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.99 126.46 33.05 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.001 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.883 HD13 HD11 ' A' ' 39' ' ' ILE . 36.5 mt -133.18 128.85 56.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.575 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -103.95 127.51 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.217 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.711 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -132.14 139.85 48.56 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.126 0.489 . . . . 0.0 111.385 -179.488 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -81.06 107.26 13.72 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.587 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.66 -169.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.767 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.747 ' O ' HD12 ' A' ' 65' ' ' LEU . 14.0 mm-40 -117.42 157.31 26.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.511 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.1 p -62.01 -22.37 65.65 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.061 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.619 ' HA ' ' H ' ' A' ' 66' ' ' SER . 96.9 p -115.73 3.98 13.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.637 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.475 ' HB2' ' H ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -50.62 164.04 0.15 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.797 0.332 . . . . 0.0 110.829 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.1 p -97.65 156.76 16.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.2 mm -54.07 -43.29 58.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.087 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -47.83 -49.37 29.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.745 0.307 . . . . 0.0 110.461 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -63.46 -39.86 95.59 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.921 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.32 -48.79 86.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.507 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.531 ' HA ' HE22 ' A' ' 50' ' ' GLN . 44.7 mtmt -62.61 -60.35 3.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.134 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 m -47.07 -47.71 22.72 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.003 0.43 . . . . 0.0 109.874 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -49.26 -39.11 29.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.9 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.883 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -64.63 -40.73 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -58.97 -29.24 67.04 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.797 0.332 . . . . 0.0 110.561 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -73.77 -24.88 59.92 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 42' ' ' LYS . 6.8 mptt -90.31 -43.44 10.35 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.982 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' C ' ' H ' ' A' ' 45' ' ' ILE . 5.5 mt-10 -123.19 10.62 9.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.49 -38.45 0.71 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 121.048 -0.596 . . . . 0.0 111.92 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.664 HD12 HD21 ' A' ' 80' ' ' LEU . 1.9 mt -41.55 122.39 2.25 Favored Pre-proline 0 N--CA 1.464 0.261 0 CA-C-O 120.686 0.279 . . . . 0.0 111.602 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.18 139.94 86.41 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.485 2.123 . . . . 0.0 112.151 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -51.83 -33.87 52.75 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.834 2.356 . . . . 0.0 112.218 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -74.2 -40.01 62.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.18 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.18 -17.46 62.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.324 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.71 ' NE2' HD11 ' A' ' 78' ' ' LEU . 1.1 pp0? -123.09 173.07 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.424 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -151.41 169.99 20.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.526 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.627 ' HB3' HD12 ' A' ' 59' ' ' LEU . 4.2 mm? -113.55 114.03 25.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.162 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.5 mp -111.81 119.18 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.59 ' HB3' HD11 ' A' ' 59' ' ' LEU . 12.1 t-105 -143.61 137.32 28.25 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.12 0.486 . . . . 0.0 111.23 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.664 ' HA ' HD11 ' A' ' 105' ' ' LEU . . . 61.07 53.09 3.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.915 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.589 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 55.66 4.9 0.72 Allowed Glycine 0 CA--C 1.527 0.795 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.692 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -125.42 131.92 52.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 117.106 0.453 . . . . 0.0 111.082 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -72.4 126.65 30.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.671 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' ' 52' ' ' LEU . 55.5 mt -79.38 145.02 33.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 110.662 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.99 139.05 31.03 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.713 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -55.33 -13.09 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.382 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.94 -8.01 60.77 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 159.14 27.13 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.925 0.362 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.69 159.55 20.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.454 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.747 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.0 mt -73.89 -39.6 63.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.328 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.619 ' H ' ' HA ' ' A' ' 29' ' ' SER . 15.1 t -70.59 -10.69 59.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.78 -24.35 66.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.932 0.396 . . . . 0.0 110.163 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.403 ' O ' ' CB ' ' A' ' 69' ' ' ASN . 22.6 t80 -125.78 -4.91 6.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.456 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER 78.31 30.75 0.4 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.23 0.538 . . . . 0.0 109.66 -179.102 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 mt -63.37 121.16 11.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -118.16 -172.1 2.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.678 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.488 ' HB3' ' CB ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -54.15 -50.57 66.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.467 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -71.98 37.41 0.07 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.406 -179.37 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.442 ' H ' ' C ' ' A' ' 72' ' ' ARG . 53.9 m -113.25 134.1 54.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.977 0.417 . . . . 0.0 110.589 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.9 m -98.83 103.92 15.92 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.004 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mp -86.27 155.27 20.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.609 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.4 ' O ' HD13 ' A' ' 52' ' ' LEU . 36.7 t-80 -121.31 113.51 20.02 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.71 HD11 ' NE2' ' A' ' 50' ' ' GLN . 4.7 tt -102.61 137.56 40.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 t -98.34 124.85 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.857 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.664 HD21 HD12 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -98.26 122.74 41.8 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.815 -179.44 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -72.82 -173.5 1.23 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.807 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.746 HD21 ' O ' ' A' ' 86' ' ' SER . 0.1 OUTLIER -135.13 100.98 4.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.623 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -98.15 -28.21 13.83 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.424 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.09 153.8 6.39 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.74 20.66 72.42 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.746 ' O ' HD21 ' A' ' 82' ' ' LEU . 16.1 m -155.89 17.34 0.37 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.719 0.295 . . . . 0.0 110.53 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.472 ' N ' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -52.01 -57.31 9.86 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.66 -179.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 54.51 -94.13 0.02 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.1 -31.82 0.04 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.551 ' HB1' ' HE2' ' A' ' 99' ' ' LYS . . . -68.47 -71.23 0.22 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.778 0.323 . . . . 0.0 110.344 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.414 ' HB3' HD23 ' A' ' 82' ' ' LEU . . . -86.97 132.11 33.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.081 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -143.8 28.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.321 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 59.63 66.32 1.02 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.64 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.711 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.6 mt-10 162.16 -80.55 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.582 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -60.83 -10.19 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.556 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.711 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.2 pt? -58.12 -17.47 18.52 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.532 ' N ' HD23 ' A' ' 96' ' ' LEU . 4.1 mt -95.29 -55.62 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.612 0.244 . . . . 0.0 110.868 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -62.73 -34.27 76.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.926 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.551 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -73.67 -35.0 65.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.829 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.413 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -73.02 -25.51 60.99 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 109.878 179.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.526 HG23 ' HA2' ' A' ' 56' ' ' GLY . 39.9 mt -76.68 -31.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.424 ' HA ' ' HG2' ' A' ' 106' ' ' LYS . 32.5 mt-10 -94.32 -12.23 28.44 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.951 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 1.2 mm? -93.17 -73.46 0.56 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -177.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.4 t -94.56 -11.61 29.14 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.664 HD11 ' HA ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -79.52 -34.84 40.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.708 0.29 . . . . 0.0 110.628 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.424 ' HG2' ' HA ' ' A' ' 102' ' ' GLU . 24.7 mmtt -84.04 -28.17 27.81 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.89 -35.63 81.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.131 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.4 m -65.0 -40.79 95.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.329 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -70.54 -34.95 72.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.283 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.13 -21.41 54.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.595 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.8 t -72.11 -12.19 61.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.64 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.64 -17.41 48.84 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.06 -67.18 2.15 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 35.2 p90 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.748 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 ttm . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -152.26 95.32 2.04 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.337 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -109.53 -146.45 0.4 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.424 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 67.02 -73.43 0.08 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.989 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.89 120.17 10.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.639 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.28 -123.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.206 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -148.62 -32.55 0.24 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.632 0.253 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.514 ' H ' ' NE ' ' A' ' 72' ' ' ARG . . . 76.83 10.71 85.95 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -178.87 64.31 0.01 OUTLIER 'General case' 0 C--O 1.233 0.225 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.82 -175.91 3.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.939 -178.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -62.59 175.08 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.572 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.461 HG12 HG22 ' A' ' 26' ' ' VAL . 22.8 pt -141.86 167.09 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.07 179.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -112.74 125.07 53.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.17 130.19 56.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.868 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -116.64 117.46 29.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.3 p -66.27 163.93 16.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.387 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.705 HD13 ' C ' ' A' ' 17' ' ' LEU . 3.4 tm? -55.45 -46.0 76.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.982 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.6 p -60.56 -22.27 63.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.71 47.1 1.68 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -105.15 134.94 47.42 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.63 118.23 26.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.752 0.311 . . . . 0.0 110.689 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.404 HD13 HD11 ' A' ' 39' ' ' ILE . 57.8 mt -132.88 132.66 59.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.519 ' C ' HD23 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -110.6 135.31 51.44 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -132.75 141.61 48.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.843 179.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -83.51 99.86 10.4 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.864 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG22 HG12 ' A' ' 12' ' ' ILE . 18.0 m -128.42 154.78 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.194 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.727 ' O ' HD12 ' A' ' 65' ' ' LEU . 19.7 mt-10 -76.82 159.63 29.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.786 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 1.8 m -65.2 -22.18 66.86 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.57 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.601 ' HA ' ' H ' ' A' ' 66' ' ' SER . 96.7 p -114.73 3.98 14.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.315 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.11 159.73 0.41 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.786 0.327 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.2 p -93.88 154.44 17.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.248 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 32' ' ' ILE . 27.7 mm -50.23 -45.77 24.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -48.9 -42.81 38.16 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.558 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.04 -40.11 90.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.044 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.7 t -61.76 -50.45 80.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.82 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -59.54 -59.67 5.07 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.077 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.7 p -48.36 -46.74 37.14 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.254 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -50.26 -37.33 35.38 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.404 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -68.12 -42.54 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 179.665 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' GLY . 0.7 OUTLIER -57.95 -27.46 63.43 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.76 -179.596 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 3.5 t70 -72.65 -25.73 61.39 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -92.36 -40.99 10.59 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.03 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -115.17 3.46 14.34 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.83 -43.59 1.68 Allowed Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.418 ' H ' HG12 ' A' ' 45' ' ' ILE . 7.2 mm -41.56 118.72 1.87 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.5 0.19 . . . . 0.0 111.34 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -51.73 142.54 40.89 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.514 2.143 . . . . 0.0 112.088 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -50.81 -40.26 57.25 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 122.94 2.427 . . . . 0.0 112.343 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -66.02 -40.85 91.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -16.6 45.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.919 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -116.89 167.15 11.38 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.699 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.424 ' HD2' ' HE ' ' A' ' 81' ' ' ARG . 3.8 mtp85 -138.18 166.99 22.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.7 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.553 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -123.26 112.25 17.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 110.491 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.549 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.8 mp -111.83 122.07 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.483 ' CB ' HD11 ' A' ' 59' ' ' LEU . 77.8 t90 -137.32 135.59 37.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.959 0.409 . . . . 0.0 110.862 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 57.21 54.57 6.66 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.332 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.612 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 55.71 7.11 1.39 Allowed Glycine 0 CA--C 1.529 0.917 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.755 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -123.47 140.17 53.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 117.272 0.536 . . . . 0.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.85 124.2 27.37 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.94 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 52' ' ' LEU . 34.5 mt -78.91 137.37 37.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 110.436 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -90.92 141.51 28.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.693 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -19.92 2.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.261 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.51 -7.93 68.65 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.894 -0.483 . . . . 0.0 111.894 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -73.74 160.62 31.26 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.845 0.355 . . . . 0.0 110.942 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.0 p -118.75 164.58 15.17 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.402 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' ' 27' ' ' GLU . 6.3 mt -76.72 -36.32 57.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.567 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.601 ' H ' ' HA ' ' A' ' 29' ' ' SER . 49.1 p -78.05 -10.43 59.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.494 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -53.3 -62.91 1.35 Allowed 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.03 6.1 43.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.384 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.8 34.92 1.46 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.6 mm -51.24 99.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.012 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.661 HE21 ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -67.29 156.1 37.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.847 -179.524 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.514 ' NE ' ' H ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -52.28 -48.82 65.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.655 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -80.13 55.37 2.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.0 t -110.63 138.97 46.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.503 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.5 m -91.72 99.04 12.0 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.039 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 76' ' ' LEU . 4.2 mm? -87.22 151.36 23.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.392 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.499 ' CG ' HD21 ' A' ' 105' ' ' LEU . 80.6 m-70 -121.76 117.05 25.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.928 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.433 HD12 ' CD2' ' A' ' 52' ' ' LEU . 5.0 tt -108.2 145.81 33.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.22 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' HD12 ' A' ' 96' ' ' LEU . 29.8 m -115.24 134.22 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.341 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.4 mt -104.24 131.12 51.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.754 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.424 ' HE ' ' HD2' ' A' ' 51' ' ' ARG . 43.0 mtt180 -87.13 138.61 31.35 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.324 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.64 99.32 9.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.957 0.408 . . . . 0.0 110.605 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.03 -15.59 62.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.618 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.79 -42.29 59.22 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 149.56 -71.12 0.31 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.8 t -153.39 125.78 8.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.797 0.332 . . . . 0.0 110.581 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -45.63 31.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.442 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.36 -23.09 8.81 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.8 -123.72 2.21 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.8 -71.78 0.19 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.661 0.267 . . . . 0.0 110.645 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.57 -179.04 5.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.346 -0.388 . . . . 0.0 109.995 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.64 20.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.456 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 56.23 60.0 3.4 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.591 ' O ' HD23 ' A' ' 96' ' ' LEU . 23.9 tt0 169.03 -80.48 0.0 OUTLIER 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.021 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 97' ' ' ILE . 13.9 pt-20 -55.42 -24.12 28.69 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.473 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 94' ' ' GLU . 1.4 pt? -42.7 -19.35 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.422 ' N ' HD23 ' A' ' 96' ' ' LEU . 3.4 mt -90.48 -58.87 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.642 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -61.66 -32.4 72.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.125 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.603 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -81.08 -28.92 35.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.543 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -70.8 -22.36 62.37 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.612 HG23 ' HA2' ' A' ' 56' ' ' GLY . 19.8 mt -88.25 -30.71 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.259 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 106' ' ' LYS . 3.8 tt0 -92.83 -11.75 32.88 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.87 HD12 ' N ' ' A' ' 104' ' ' SER . 3.2 pp -96.2 -70.02 0.73 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 119.122 -1.031 . . . . 0.0 113.136 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.87 ' N ' HD12 ' A' ' 103' ' ' LEU . 26.9 m -100.41 -10.46 21.15 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.599 HD12 ' H ' ' A' ' 56' ' ' GLY . 3.9 mm? -93.22 -43.62 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -177.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -52.17 -29.46 22.38 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.252 -179.164 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.52 -36.37 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.578 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 86.7 p -90.8 -6.79 53.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -66.54 -54.57 22.25 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.419 -179.774 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -54.63 -43.92 72.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.698 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 87.2 p -72.29 -36.19 68.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.449 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.05 -37.55 95.14 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.405 ' C ' ' CG ' ' A' ' 114' ' ' TYR . . . -94.32 -6.61 61.25 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.405 ' CG ' ' C ' ' A' ' 113' ' ' GLY . 3.7 p90 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.684 -0.674 . . . . 0.0 111.006 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 ptt? . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -155.17 146.69 23.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.55 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -82.63 -171.52 3.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.503 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -86.82 53.28 2.77 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.354 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -82.36 7.97 12.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.66 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.0 t60 65.88 152.54 0.06 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -66.58 172.45 4.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.01 173.7 22.55 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -144.14 -153.26 0.46 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -113.38 120.22 40.33 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.479 HE21 ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -127.15 120.61 29.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.296 -179.328 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.451 HG23 ' CG2' ' A' ' 26' ' ' VAL . 30.8 pt -75.75 178.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.519 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -122.12 131.53 54.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.928 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.23 135.67 54.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.405 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -113.0 155.23 25.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.42 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.5 p -112.81 168.67 9.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.532 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 17' ' ' LEU . 9.7 tp -70.53 -3.92 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.298 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.5 p -104.99 -17.96 14.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.348 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.42 45.35 1.84 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 26.2 tptp -105.65 122.17 45.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -94.01 110.69 22.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.236 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.943 HD13 HD11 ' A' ' 39' ' ' ILE . 2.0 mp -115.99 133.31 62.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.0 m -106.27 127.81 53.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.118 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.401 HD12 HG11 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -132.03 135.67 46.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.748 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.44 96.35 6.03 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.706 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.451 ' CG2' HG23 ' A' ' 12' ' ' ILE . 33.9 m -124.01 177.25 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.256 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.685 ' O ' HD12 ' A' ' 65' ' ' LEU . 11.1 mt-10 -94.98 154.54 17.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.688 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -62.43 -18.67 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.504 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.643 ' HA ' ' H ' ' A' ' 66' ' ' SER . 11.9 t -116.5 4.25 13.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.327 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -48.34 161.46 0.12 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.719 0.295 . . . . 0.0 110.953 -179.763 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.1 p -94.4 157.28 16.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.796 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 28.8 mm -52.33 -47.96 45.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.171 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -47.19 -43.61 21.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.213 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -42.34 95.05 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.84 179.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -58.86 -49.76 81.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.566 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -62.45 -60.54 3.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.196 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.7 p -48.06 -52.49 19.94 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.533 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -51.21 -32.85 25.3 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.226 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.943 HD11 HD13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -74.17 -43.5 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.807 179.767 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.492 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -59.56 -29.37 67.88 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.531 -179.138 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.492 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 25.8 t70 -71.17 -28.49 64.29 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -92.76 -36.23 13.0 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.155 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.557 ' OE1' HD13 ' A' ' 39' ' ' ILE . 8.6 mp0 -115.05 1.8 14.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 75.42 -45.8 1.84 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.415 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 6.2 mm -37.49 111.89 0.57 Allowed Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 122.086 0.154 . . . . 0.0 111.386 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 2.8 Cg_endo -50.52 137.32 40.61 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 122.51 2.14 . . . . 0.0 111.921 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.437 ' HD3' ' CB ' ' A' ' 40' ' ' GLN . 2.5 Cg_endo -51.49 -44.27 44.83 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.732 2.288 . . . . 0.0 112.676 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.67 -18.2 65.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.352 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -84.29 -5.61 59.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.803 ' NE2' HD21 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -123.66 164.96 18.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.965 0.412 . . . . 0.0 111.226 -178.691 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.785 ' O ' HD12 ' A' ' 78' ' ' LEU . 8.4 mtp85 -137.95 162.43 34.09 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -117.94 109.89 17.05 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.58 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.8 mp -111.28 117.39 54.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.677 ' HB3' HD11 ' A' ' 59' ' ' LEU . 62.1 t-105 -130.53 135.08 47.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.966 0.412 . . . . 0.0 111.057 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 58.94 57.34 3.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.272 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.523 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 51.89 11.54 0.96 Allowed Glycine 0 CA--C 1.529 0.919 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.854 178.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -127.75 141.36 51.61 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 117.226 0.513 . . . . 0.0 111.116 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -77.34 126.59 31.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.988 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.677 HD11 ' HB3' ' A' ' 54' ' ' TRP . 36.3 mt -86.13 146.29 26.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.095 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -88.74 133.28 34.28 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.085 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 6.2 p-10 -49.83 -21.27 1.07 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.918 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.16 -0.51 88.72 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 121.292 -0.48 . . . . 0.0 111.978 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 mtt85 -74.81 164.06 26.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.841 0.353 . . . . 0.0 110.992 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.9 p -115.48 162.56 17.01 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.525 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.9 mt -71.14 -37.82 72.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.871 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.643 ' H ' ' HA ' ' A' ' 29' ' ' SER . 44.5 t -72.43 -10.39 59.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -56.2 -61.51 2.35 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -86.15 -0.85 56.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.282 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 75.8 45.61 0.12 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.295 0.569 . . . . 0.0 109.757 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.2 mt -82.89 143.77 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.705 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -137.37 179.86 6.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.343 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -52.51 -48.62 65.9 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.901 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -74.63 37.89 0.11 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.346 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.1 t -118.18 143.72 46.29 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.817 0.341 . . . . 0.0 110.639 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.0 m -103.44 104.38 14.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.148 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.6 mp -85.34 157.26 20.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.902 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.557 ' O ' HD13 ' A' ' 52' ' ' LEU . 8.5 m80 -117.58 107.81 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.676 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.803 HD21 ' NE2' ' A' ' 50' ' ' GLN . 24.8 tp -101.81 135.03 44.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.209 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.453 HG11 HD13 ' A' ' 96' ' ' LEU . 57.2 t -108.56 109.64 29.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.27 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.95 101.73 3.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.345 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 96' ' ' LEU . 4.4 ttt180 -71.76 138.9 48.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.599 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.442 ' HA ' HD13 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -83.31 127.8 33.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.455 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -58.7 -20.64 50.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.263 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -162.62 118.53 0.82 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -60.01 95.11 0.07 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.422 ' H ' ' H ' ' A' ' 87' ' ' MET . 43.1 t -157.86 -11.35 0.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.636 0.255 . . . . 0.0 110.518 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.422 ' H ' ' H ' ' A' ' 86' ' ' SER . 1.1 ttt -60.38 -36.42 78.03 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.571 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.91 10.51 46.31 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -88.37 -146.92 12.9 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.81 ' HB1' ' HE2' ' A' ' 99' ' ' LYS . . . -73.57 -44.92 56.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 110.411 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 96' ' ' LEU . . . -103.51 133.91 47.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.179 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -153.77 51.97 0.69 Allowed 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.297 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.563 ' HA ' HD21 ' A' ' 96' ' ' LEU . 1.5 tm-20 43.76 71.16 0.26 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.49 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 93' ' ' GLU . 19.4 tt0 149.62 -74.22 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.739 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.29 -9.73 19.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.523 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 97' ' ' ILE . 0.4 OUTLIER -79.71 -13.04 59.74 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.565 -179.764 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.63 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.3 mt -94.41 -49.04 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.273 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -65.19 -34.97 79.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.705 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.81 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -77.71 -27.68 50.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.412 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.496 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -80.03 -34.47 38.33 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.529 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 26.3 mt -67.43 -37.34 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.457 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.444 ' HA ' ' HG2' ' A' ' 106' ' ' LYS . 10.1 tp10 -93.46 -27.18 16.85 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.613 ' HG ' ' N ' ' A' ' 104' ' ' SER . 0.3 OUTLIER -97.35 -52.63 3.74 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.842 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.613 ' N ' ' HG ' ' A' ' 103' ' ' LEU . 75.8 p -97.02 -14.33 21.7 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.529 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 1.9 mm? -91.77 -27.38 18.05 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.522 -178.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 102' ' ' GLU . 13.7 mmtp -85.74 -25.25 26.55 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.428 0.632 . . . . 0.0 109.316 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -76.63 -31.11 57.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.011 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.1 t -58.03 -29.27 65.21 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.386 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -57.47 -39.05 75.54 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.897 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -70.3 -29.21 65.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.981 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.0 m -88.23 11.51 16.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.371 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -68.92 1.5 10.28 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.27 -27.06 57.37 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.461 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 mtm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -65.93 170.59 5.3 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.571 ' CD2' ' H ' ' A' ' 4' ' ' HIS . 3.4 p-80 -139.29 -60.19 0.57 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.571 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 72.1 m80 -148.15 -26.0 0.34 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 68.7 118.37 0.03 OUTLIER 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.593 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -60.34 96.83 0.04 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.271 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -157.96 145.72 18.51 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.675 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.33 137.27 0.57 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -123.94 -14.86 7.04 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.792 0.329 . . . . 0.0 110.525 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -120.26 123.53 43.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.744 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.434 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 7.4 pt20 -124.58 120.8 32.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.538 HG23 ' CG2' ' A' ' 26' ' ' VAL . 39.1 pt -74.67 174.02 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -121.92 136.89 54.95 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.73 143.93 49.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.525 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.3 tptm -132.87 125.85 30.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.521 179.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 64.5 p -71.91 162.46 29.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.017 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -53.29 -47.17 69.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.306 179.604 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.4 p -63.66 -17.07 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.374 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.47 50.98 1.16 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.991 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 28.2 tptp -106.7 114.43 28.53 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -82.73 116.36 22.05 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.692 0.282 . . . . 0.0 110.975 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.8 mt -133.09 128.09 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.584 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 m -104.32 133.49 49.13 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.277 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.439 HD11 HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -132.47 136.65 46.85 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.967 0.413 . . . . 0.0 111.487 -179.594 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.521 ' H ' ' NZ ' ' A' ' 38' ' ' LYS . 1.7 mm-40 -80.58 98.19 7.53 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.493 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.538 ' CG2' HG23 ' A' ' 12' ' ' ILE . 31.8 m -122.15 154.12 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.97 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.694 ' O ' HD12 ' A' ' 65' ' ' LEU . 5.8 mt-10 -68.27 153.37 43.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.18 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.6 t -61.45 -19.15 61.67 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.725 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.665 ' HA ' ' H ' ' A' ' 66' ' ' SER . 6.1 t -118.25 4.65 11.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 160.46 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 111.258 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.496 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.9 p -101.45 162.56 12.81 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.361 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 28.7 mm -57.16 -49.1 80.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.643 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -46.71 -47.1 20.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.717 0.294 . . . . 0.0 110.535 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -63.74 -37.85 88.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.843 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 31' ' ' THR . 86.0 t -61.96 -44.11 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.224 178.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.43 -64.24 1.01 Allowed 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.952 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.419 ' N ' ' HB3' ' A' ' 47' ' ' PRO . 18.7 p -49.61 -50.62 42.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.461 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.521 ' NZ ' ' H ' ' A' ' 25' ' ' GLU . 17.6 tptp -51.1 -30.32 15.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.027 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.548 ' CG2' ' NE2' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -75.47 -40.13 41.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.309 179.468 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' GLY . 4.3 pt20 -56.95 -27.86 61.57 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.882 0.372 . . . . 0.0 110.177 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -68.68 -26.11 65.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -92.57 -39.49 11.32 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.08 -0.964 . . . . 0.0 112.326 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.459 ' C ' ' H ' ' A' ' 45' ' ' ILE . 10.0 mm-40 -117.28 3.86 12.6 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.45 -37.61 0.7 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.555 ' HB ' ' NE2' ' A' ' 50' ' ' GLN . 4.8 mm -46.5 122.14 6.7 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -50.33 139.17 36.96 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.872 2.381 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.419 ' HB3' ' N ' ' A' ' 37' ' ' SER . 2.4 Cg_endo -48.59 -41.16 37.67 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 123.379 2.719 . . . . 0.0 112.887 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -69.45 -14.73 63.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.971 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.57 -15.46 37.34 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.415 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.555 ' NE2' ' HB ' ' A' ' 45' ' ' ILE . 5.8 mt-30 -105.3 138.57 41.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.486 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.518 ' HE ' ' C ' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -117.54 145.17 44.43 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.462 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.498 ' HB3' HD12 ' A' ' 59' ' ' LEU . 6.5 mp -119.55 123.07 43.06 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.592 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.509 HG21 HG13 ' A' ' 101' ' ' ILE . 3.7 mp -113.03 122.06 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.091 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.448 ' HB2' HD11 ' A' ' 59' ' ' LEU . 32.4 t-105 -126.94 127.16 44.42 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.855 0.36 . . . . 0.0 110.206 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 56.39 60.48 3.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.494 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.633 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 55.49 6.97 1.2 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.865 178.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -124.29 138.1 54.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.237 0.518 . . . . 0.0 111.109 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.77 122.77 23.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.968 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 52' ' ' LEU . 67.5 mt -69.06 126.75 30.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -85.18 141.59 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.343 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.465 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -50.19 -16.29 0.3 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.15 -178.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.84 -1.0 68.17 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.902 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -75.84 148.28 38.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.82 0.343 . . . . 0.0 111.0 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -110.96 167.88 9.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.1 mt -80.85 -46.18 15.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.473 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.665 ' H ' ' HA ' ' A' ' 29' ' ' SER . 23.0 t -68.76 -9.49 51.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.571 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -50.95 -61.78 2.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.958 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -103.72 -2.69 26.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.425 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.8 m120 68.21 45.03 1.31 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.259 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.478 ' CG2' HD22 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -53.23 -17.99 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.713 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 58.4 -159.83 0.27 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.62 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 12' ' ' ILE . 5.5 ptm180 -101.51 -38.75 7.84 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.753 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -77.85 58.4 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 0.0 110.717 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.4 t -131.56 152.92 50.38 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.685 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.57 103.93 14.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.329 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.446 HD12 HD23 ' A' ' 52' ' ' LEU . 3.0 mm? -81.85 105.02 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.876 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.9 109.62 4.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.748 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 50' ' ' GLN . 6.8 tt -117.92 152.17 35.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.434 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.543 ' N ' HD23 ' A' ' 78' ' ' LEU . 18.5 m -130.15 133.66 63.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.8 mt -91.91 125.38 36.59 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.784 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.409 HH12 ' CD1' ' A' ' 97' ' ' ILE . 4.2 mtp85 -81.72 147.53 29.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.415 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.489 ' C ' ' H ' ' A' ' 84' ' ' GLY . 0.2 OUTLIER -127.29 117.47 22.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.107 179.526 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.409 ' N ' HD13 ' A' ' 82' ' ' LEU . 16.8 ptt180 -72.76 32.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.144 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 82' ' ' LEU . . . -156.41 -22.98 0.03 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 58.9 50.28 69.31 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.9 p -114.03 -0.69 13.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.635 0.255 . . . . 0.0 110.651 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -44.82 79.89 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.476 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 167.34 163.26 20.91 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -58.43 -25.85 58.5 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.86 -71.48 0.35 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.677 0.275 . . . . 0.0 110.534 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.55 136.82 40.74 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.237 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -133.12 -65.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.43 ' HA ' HD21 ' A' ' 96' ' ' LEU . 18.8 tt0 -166.5 -40.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.435 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -111.92 -47.06 3.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.454 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.83 -10.8 10.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.93 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.709 HD12 ' N ' ' A' ' 97' ' ' ILE . 0.8 OUTLIER -75.79 -9.66 58.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.507 179.558 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.709 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.0 mt -92.5 -58.45 3.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.597 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -58.48 -34.7 71.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.603 ' O ' HD23 ' A' ' 103' ' ' LEU . 2.3 pttp -80.23 -28.82 38.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.317 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -69.4 -19.99 63.81 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.633 HG23 ' HA2' ' A' ' 56' ' ' GLY . 21.2 mt -88.85 -33.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.093 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 0.4 OUTLIER -91.67 -12.36 34.35 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -177.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.872 HD12 ' N ' ' A' ' 104' ' ' SER . 3.0 pp -96.27 -68.55 0.79 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 119.261 -0.976 . . . . 0.0 113.055 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.872 ' N ' HD12 ' A' ' 103' ' ' LEU . 48.5 t -99.65 -10.9 21.42 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -177.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER -93.23 -38.06 11.74 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.045 -178.154 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -83.21 -16.9 44.72 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.053 -179.493 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.29 -28.43 68.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.482 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.6 t -78.56 -9.7 59.45 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.021 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.9 ttm105 -59.23 -39.47 82.83 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.653 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -58.48 -41.92 86.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.397 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.2 m -95.16 18.03 13.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.52 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.99 83.94 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.93 -8.14 40.22 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.673 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.87 -176.78 1.5 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.709 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -155.99 -47.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.166 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -89.55 -42.64 11.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.974 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 57.16 74.03 0.43 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.815 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -143.0 -15.43 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.366 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -68.17 -20.76 64.9 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.386 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.04 87.55 0.62 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -112.84 141.67 46.39 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -110.98 120.92 43.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.056 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.599 HE21 HH12 ' A' ' 72' ' ' ARG . 11.4 pt20 -124.83 115.02 20.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.42 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.416 HD11 HD11 ' A' ' 24' ' ' LEU . 44.8 pt -75.15 174.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -122.89 132.22 54.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.868 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.66 134.06 55.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.805 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -130.6 117.06 18.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.014 0.435 . . . . 0.0 110.913 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.2 p -73.75 172.24 11.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.39 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 100' ' ' ALA . 13.2 tp -70.88 -9.85 58.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.475 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.3 p -84.71 -20.6 30.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.524 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.53 27.51 7.56 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 3.7 tmtm? -96.32 121.73 38.43 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -92.95 131.12 38.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 0.0 110.651 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 mp -132.74 129.25 58.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.525 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.7 m -106.62 120.6 42.39 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.287 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -126.71 140.69 52.2 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 -179.594 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -86.16 113.78 22.48 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.455 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 m -138.95 155.1 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.053 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.634 ' O ' HD12 ' A' ' 65' ' ' LEU . 4.7 mm-40 -68.68 161.23 28.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.212 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 18.2 t -64.43 -16.89 63.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.611 ' HA ' ' H ' ' A' ' 66' ' ' SER . 2.9 t -117.6 4.74 12.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.558 -178.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.48 157.0 0.07 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 111.002 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 64' ' ' THR . 13.2 p -106.66 164.71 11.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.975 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 38.1 mm -50.97 -53.2 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.889 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -42.34 -50.56 5.04 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.979 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -63.86 -36.86 85.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.519 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.12 -50.58 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.062 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -58.78 -61.32 2.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.229 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 40' ' ' GLN . 35.0 p -47.82 -47.62 31.1 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.457 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -52.1 -33.42 39.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.103 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 40' ' ' GLN . 0.3 OUTLIER -73.49 -47.58 44.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.115 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.504 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -56.28 -30.06 61.98 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -178.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.504 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 17.3 t70 -74.59 -27.56 60.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.186 0.517 . . . . 0.0 109.678 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -92.32 -41.54 10.31 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.228 -0.897 . . . . 0.0 112.364 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' OE1' HD13 ' A' ' 39' ' ' ILE . 7.6 mp0 -115.76 4.06 13.94 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' ILE . . . 78.66 -47.03 2.96 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.738 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.777 HG21 HD22 ' A' ' 80' ' ' LEU . 8.3 mm -31.57 129.15 0.3 Allowed Pre-proline 0 N--CA 1.468 0.439 0 C-N-CA 122.356 0.262 . . . . 0.0 111.292 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.2 Cg_exo -72.63 136.47 25.83 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.493 2.128 . . . . 0.0 112.201 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' A' ' 40' ' ' GLN . 2.7 Cg_endo -54.02 -42.06 70.03 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.623 2.215 . . . . 0.0 112.326 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -62.58 -7.39 4.63 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.426 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -112.01 -5.68 14.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.8 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.412 ' HB3' HD21 ' A' ' 78' ' ' LEU . 8.5 mt-30 -96.89 131.98 43.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.666 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.62 ' HB3' HG23 ' A' ' 79' ' ' VAL . 3.6 tpt180 -112.69 139.37 48.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.502 HD22 ' C ' ' A' ' 51' ' ' ARG . 4.6 mm? -111.71 113.72 26.27 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.668 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.452 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.5 mp -115.17 124.15 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.529 ' HB3' HD11 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -142.11 135.9 29.54 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.131 0.491 . . . . 0.0 110.749 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.5 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 59.06 55.2 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.586 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.739 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 56.92 5.43 1.34 Allowed Glycine 0 CA--C 1.528 0.886 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.722 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -128.19 146.5 50.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.21 0.505 . . . . 0.0 111.278 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -77.96 123.23 26.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.893 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 54' ' ' TRP . 54.5 mt -72.77 135.74 45.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.104 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -90.89 137.24 32.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.717 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 13.1 t70 -45.69 -28.05 0.93 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.945 -178.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.3 2.62 61.29 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.748 HH22 HD12 ' A' ' 70' ' ' ILE . 3.9 tmt_? -78.42 147.75 33.89 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 31' ' ' THR . 2.8 p -117.54 159.77 22.32 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.749 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.1 mt -68.93 -42.29 76.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.599 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.611 ' H ' ' HA ' ' A' ' 29' ' ' SER . 33.6 t -69.25 -10.78 59.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.161 -179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -58.12 -61.03 2.85 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -86.57 -1.86 58.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.494 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 70.52 23.16 4.88 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.134 0.492 . . . . 0.0 109.841 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.748 HD12 HH22 ' A' ' 63' ' ' ARG . 4.9 mt -53.47 132.34 16.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.557 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.5 -146.98 0.15 Allowed 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.977 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.599 HH12 HE21 ' A' ' 11' ' ' GLN . 4.5 ptm180 -100.15 -38.42 8.53 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.685 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -76.17 7.58 4.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.744 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.508 ' CB ' HG23 ' A' ' 70' ' ' ILE . 74.3 p -66.74 139.72 57.83 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.5 m -101.87 103.03 13.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.101 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.482 HD21 HD13 ' A' ' 70' ' ' ILE . 3.7 mm? -90.4 157.98 17.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.438 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.95 115.95 24.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.845 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.484 HD12 HD21 ' A' ' 52' ' ' LEU . 3.8 tt -113.95 89.85 3.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.62 HG23 ' HB3' ' A' ' 51' ' ' ARG . 25.8 m -79.56 133.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.777 HD22 HG21 ' A' ' 45' ' ' ILE . 57.4 mt -94.42 117.77 30.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.266 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -81.99 127.29 32.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.82 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -87.64 125.84 34.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.178 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.415 ' N ' HD13 ' A' ' 82' ' ' LEU . 7.6 ttm180 -81.33 32.06 0.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -165.13 -27.67 0.02 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.24 18.83 71.67 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.4 p -70.05 -11.24 60.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.773 0.32 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 66.1 mmm -65.19 -57.4 8.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.517 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 57.16 79.77 0.09 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.85 -137.67 2.32 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.49 -9.96 39.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -155.98 106.34 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.009 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -93.88 -55.0 3.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.298 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.677 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.1 tm-20 -178.88 -44.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.186 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.55 -47.26 3.66 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.793 0.33 . . . . 0.0 110.381 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -56.08 -24.95 43.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.001 -179.361 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.689 HD23 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -58.41 -17.1 17.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.689 ' N ' HD23 ' A' ' 96' ' ' LEU . 2.3 mt -96.24 -50.82 11.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 8.7 ptm180 -55.13 -43.42 74.14 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.729 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 103' ' ' LEU . 33.1 mtmm -68.33 -73.73 0.14 Allowed 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 120.56 -0.456 . . . . 0.0 109.975 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.596 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -33.96 -29.14 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.739 HG23 ' HA2' ' A' ' 56' ' ' GLY . 25.2 mt -76.06 -54.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.018 0.437 . . . . 0.0 110.344 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 8.1 tp10 -83.42 -10.21 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.087 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 99' ' ' LYS . 65.1 tp -92.76 -72.15 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.33 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.4 m -97.2 -19.65 18.46 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -177.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.5 HD11 ' H ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -93.72 -23.36 18.25 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.488 -179.516 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -45.42 -20.55 0.06 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.73 0.3 . . . . 0.0 111.37 -179.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -61.01 -25.05 66.63 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.629 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.7 t -70.91 -14.54 62.42 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.797 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -70.21 -2.04 12.01 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.847 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -67.68 -6.16 19.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.823 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.9 m -61.28 -18.48 58.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.789 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.84 -16.02 58.72 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.82 -50.96 61.1 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.69 179.932 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.98 -170.61 1.87 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.51 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -84.87 24.06 1.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -57.25 129.97 44.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.564 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -89.49 112.28 23.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.777 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -170.87 -40.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.291 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -83.86 99.45 10.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 156.65 41.32 0.02 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -160.84 -175.23 4.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -113.76 122.3 46.66 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.498 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -101.8 175.27 5.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 110.694 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.539 HD11 HD11 ' A' ' 24' ' ' LEU . 22.0 pt -144.78 168.66 9.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.043 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -112.3 117.64 33.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.215 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.15 131.08 55.99 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.9 ttpm? -124.87 117.14 23.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.119 0.485 . . . . 0.0 111.485 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 70.2 p -70.74 166.29 21.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.418 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.608 HD23 ' HB2' ' A' ' 91' ' ' ALA . 19.4 tp -64.59 -21.28 66.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.495 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p -74.35 -17.32 60.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.409 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.54 28.57 8.89 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 1.8 tmmm? -100.13 131.53 46.02 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 m -92.06 132.58 36.46 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.636 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.818 HD13 HD11 ' A' ' 39' ' ' ILE . 16.9 mt -133.5 129.56 56.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.986 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.7 m -106.46 126.58 52.43 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.155 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD11 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -133.02 141.81 48.47 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.217 -179.468 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.432 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 1.7 mp0 -81.56 112.4 18.75 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.605 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.92 -173.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.294 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.623 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.2 mp0 -107.31 161.21 15.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.845 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.2 m -64.7 -20.45 66.33 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.062 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.644 ' HA ' ' H ' ' A' ' 66' ' ' SER . 84.2 p -117.87 4.14 12.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.491 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.17 156.01 0.11 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.704 0.288 . . . . 0.0 110.659 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -98.19 160.28 14.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.537 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.416 ' HB ' ' HA ' ' A' ' 61' ' ' ASP . 23.8 mm -48.35 -50.82 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.795 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -43.28 15.95 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.737 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -66.63 -37.49 84.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.261 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.82 -49.9 77.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.077 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -57.65 -62.55 1.71 Allowed 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.257 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 p -45.18 -48.83 12.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.505 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -36.3 33.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.182 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.818 HD11 HD13 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -68.6 -43.96 83.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.545 179.767 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.44 -29.3 58.38 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.487 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -73.35 -23.42 60.22 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 mmtm -92.38 -42.61 9.69 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.236 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -120.83 5.98 10.45 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.77 -41.31 1.91 Allowed Glycine 0 CA--C 1.529 0.961 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.895 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.466 HG21 HD22 ' A' ' 80' ' ' LEU . 9.9 mm -35.51 123.99 0.63 Allowed Pre-proline 0 N--CA 1.468 0.446 0 N-CA-C 111.593 0.219 . . . . 0.0 111.593 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 45' ' ' ILE . 3.3 Cg_exo -70.84 135.21 27.37 Favored 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 122.471 2.114 . . . . 0.0 111.908 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.75 -39.44 67.13 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 123.033 2.489 . . . . 0.0 112.504 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.2 -2.5 2.13 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 112.179 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -115.94 2.18 13.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.836 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.637 HE22 ' CG2' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -127.84 171.11 12.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.157 0.504 . . . . 0.0 111.338 -178.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.609 ' NE ' HD11 ' A' ' 97' ' ' ILE . 1.6 ptm85 -150.89 176.72 10.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.644 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.749 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -134.12 128.27 33.79 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.291 -179.48 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.564 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -113.95 128.36 70.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -137.59 131.49 31.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.157 0.504 . . . . 0.0 111.106 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.467 ' H ' HD11 ' A' ' 105' ' ' LEU . . . 59.4 59.6 2.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.733 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.541 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 52.88 9.36 0.78 Allowed Glycine 0 CA--C 1.529 0.949 0 CA-C-N 116.256 -0.429 . . . . 0.0 113.08 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -133.21 141.76 48.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.384 0.592 . . . . 0.0 110.957 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -70.21 128.79 37.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.902 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.749 HD12 ' HB3' ' A' ' 52' ' ' LEU . 53.6 mt -67.12 -148.13 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.922 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' H ' ' HB3' ' A' ' 59' ' ' LEU . 25.1 tt0 -174.4 140.4 0.64 Allowed 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.479 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' HA ' ' HB ' ' A' ' 32' ' ' ILE . 22.5 m-20 -48.48 -23.61 1.02 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.498 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.28 -0.3 89.46 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.741 -0.543 . . . . 0.0 111.741 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -86.81 146.13 26.35 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.4 p -114.85 162.66 16.6 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.12 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.5 mt -69.89 -36.08 75.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.467 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.644 ' H ' ' HA ' ' A' ' 29' ' ' SER . 84.3 p -78.55 -9.97 59.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.789 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -55.66 -61.84 2.08 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.052 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.0 3.65 37.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.231 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 m120 70.19 33.27 2.68 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.216 0.531 . . . . 0.0 109.924 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.78 107.3 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.326 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -72.42 157.33 37.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.509 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' A' ' 72' ' ' ARG . 1.8 ptt-85 -49.28 -42.97 42.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.285 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.37 62.89 6.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.654 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.7 m -122.56 151.43 41.41 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.8 m -98.26 97.65 9.02 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.644 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -84.97 155.76 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.801 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.49 ' O ' HD23 ' A' ' 52' ' ' LEU . 59.1 m-70 -120.43 108.08 13.68 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.514 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 16' ' ' THR . 3.8 tt -102.58 140.19 37.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.005 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.757 HG11 HD13 ' A' ' 96' ' ' LEU . 73.3 t -108.3 136.43 43.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.272 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.576 HD23 ' HB3' ' A' ' 50' ' ' GLN . 14.9 mt -119.33 117.47 28.64 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -72.45 140.36 48.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.148 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 147.02 23.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.622 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -115.51 -26.97 7.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.224 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 147.07 93.43 0.12 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.25 -56.3 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.8 p -133.5 55.82 1.88 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.035 0.445 . . . . 0.0 110.323 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -64.77 -32.83 74.69 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.744 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.46 101.72 0.66 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.46 -179.13 37.95 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.68 -53.87 41.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.814 0.34 . . . . 0.0 110.697 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.608 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -85.9 141.83 29.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.418 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.86 -43.31 1.23 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.172 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.565 ' O ' HD11 ' A' ' 96' ' ' LEU . 3.4 tt0 169.13 -51.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.757 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -102.06 -49.97 3.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.48 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -56.2 -39.89 73.16 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.188 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.827 HD12 ' N ' ' A' ' 97' ' ' ILE . 0.6 OUTLIER -40.67 -24.56 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.32 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.827 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.1 mt -77.51 -61.75 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.18 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.573 ' HA ' HD12 ' A' ' 101' ' ' ILE . 6.3 ptp180 -66.8 -25.57 66.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.291 0.567 . . . . 0.0 109.631 178.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 35.9 tptt -73.6 -40.77 63.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.638 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.416 ' HB2' HD22 ' A' ' 17' ' ' LEU . . . -72.88 -23.41 60.73 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.967 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' A' ' 98' ' ' ARG . 38.9 mt -75.73 -36.2 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.646 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.64 -10.86 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.629 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 1.2 mm? -92.34 -72.85 0.57 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.966 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.0 m -98.73 -14.73 19.63 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -94.18 -34.32 12.96 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.993 -178.726 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -34.88 -35.77 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.184 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -45.18 -46.85 12.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.807 0.337 . . . . 0.0 110.444 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.1 t -54.87 -49.02 72.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.631 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -38.85 89.76 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.49 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -38.43 81.59 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.352 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.0 m -84.71 -14.5 48.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.474 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.82 20.28 16.18 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.31 -37.62 93.36 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.316 179.751 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 mtp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -135.34 97.33 3.67 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.685 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -91.46 132.14 36.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.069 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.8 t60 -162.18 136.71 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.624 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.6 t60 60.6 102.5 0.02 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.977 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -155.5 -14.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.348 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -130.62 145.49 51.91 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.448 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.18 123.2 1.19 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -143.69 -38.03 0.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.773 0.321 . . . . 0.0 110.363 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -156.18 121.79 4.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.869 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' O ' ' HA ' ' A' ' 72' ' ' ARG . 0.5 OUTLIER -128.22 161.06 30.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.544 179.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.436 HD11 ' CD1' ' A' ' 24' ' ' LEU . 12.2 pt -145.15 164.56 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.804 0.335 . . . . 0.0 110.32 178.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -109.53 121.84 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.051 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.35 117.25 32.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.708 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.6 152.48 21.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.061 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 49.2 p -112.66 159.93 18.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.429 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -52.49 -47.17 66.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.835 179.58 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.5 p -61.52 -20.09 62.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.796 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.36 47.2 2.05 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.09 130.55 53.97 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 m -92.31 125.54 37.02 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.692 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.1 mt -132.73 133.85 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.623 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.493 ' C ' HD23 ' A' ' 24' ' ' LEU . 9.4 m -110.22 128.38 55.47 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.566 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.493 HD23 ' C ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -133.61 141.79 47.81 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.483 179.589 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.58 94.62 9.09 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.402 HG22 HG12 ' A' ' 12' ' ' ILE . 2.1 m -129.11 160.09 40.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.635 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.711 ' O ' HD12 ' A' ' 65' ' ' LEU . 22.5 mt-10 -73.25 150.43 42.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 29.5 m -66.17 -13.16 59.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.748 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.637 ' HA ' ' H ' ' A' ' 66' ' ' SER . 82.7 p -119.81 3.42 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.765 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.38 172.12 0.07 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.4 p -99.09 162.13 13.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.206 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.5 mm -57.37 -37.54 57.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.79 -47.09 64.36 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.141 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.66 -44.13 97.03 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.668 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -59.4 -45.93 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.527 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' C ' ' HB3' ' A' ' 47' ' ' PRO . 47.3 mttt -62.61 -59.21 5.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.074 179.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.8 p -48.47 -45.29 36.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.938 0.399 . . . . 0.0 110.071 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -30.06 64.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.848 179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -65.84 -48.13 83.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.494 179.53 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.466 ' N ' ' CG2' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -67.39 -18.46 65.13 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.275 -179.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.09 -38.07 53.07 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -88.28 -36.47 16.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.012 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 45' ' ' ILE . 7.9 mp0 -115.34 8.28 15.35 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 66.64 -51.26 0.21 Allowed Glycine 0 CA--C 1.53 0.991 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.955 178.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.668 HG21 HD21 ' A' ' 80' ' ' LEU . 83.7 mt -38.2 127.37 1.04 Allowed Pre-proline 0 CA--C 1.532 0.288 0 C-N-CA 122.351 0.26 . . . . 0.0 111.187 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.491 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 2.6 Cg_endo -44.6 142.47 4.73 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 123.056 2.504 . . . . 0.0 112.544 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 46' ' ' PRO . 3.1 Cg_exo -69.72 -39.62 6.36 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.652 2.235 . . . . 0.0 111.925 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.23 -33.73 75.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.71 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.468 HE21 ' HB2' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -65.03 -10.72 32.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.832 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.487 HE21 HD11 ' A' ' 78' ' ' LEU . 11.7 mt-30 -116.18 161.87 18.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.913 0.387 . . . . 0.0 110.699 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.672 ' HE ' ' HE ' ' A' ' 81' ' ' ARG . 4.9 mtt-85 -137.44 162.33 33.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.54 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.685 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -121.98 112.0 17.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.965 0.412 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.543 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.6 mp -114.92 123.77 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -151.18 138.95 19.78 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.937 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.686 ' H ' HD21 ' A' ' 105' ' ' LEU . . . 61.66 39.07 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.479 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.597 ' H ' ' HG ' ' A' ' 105' ' ' LEU . . . 66.65 -4.0 3.3 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.313 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -112.3 125.39 54.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.907 0.384 . . . . 0.0 110.704 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -71.15 130.78 42.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.647 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 52' ' ' LEU . 19.0 mt -89.26 149.94 22.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.558 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -129.43 168.85 15.7 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -56.33 -32.68 64.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.55 -20.86 79.7 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -72.96 149.98 42.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.802 0.334 . . . . 0.0 110.585 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.35 162.36 16.16 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.606 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.711 HD12 ' O ' ' A' ' 27' ' ' GLU . 9.1 mt -72.4 -45.79 58.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.368 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.637 ' H ' ' HA ' ' A' ' 29' ' ' SER . 43.6 t -68.02 -10.19 51.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -57.44 -20.67 31.93 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.993 0.425 . . . . 0.0 110.376 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -126.16 1.89 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.4 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 76.67 37.66 0.3 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.707 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.63 HG23 ' CB ' ' A' ' 74' ' ' SER . 75.9 mt -77.46 95.32 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.167 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.38 -129.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.057 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -101.78 -47.08 4.72 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.372 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -77.76 48.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.749 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.63 ' CB ' HG23 ' A' ' 70' ' ' ILE . 5.8 m -110.0 139.2 45.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.769 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.4 m -94.64 100.16 12.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.413 HD22 HD12 ' A' ' 12' ' ' ILE . 4.2 mp -81.35 121.76 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.722 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.453 ' O ' HD23 ' A' ' 52' ' ' LEU . 13.0 m80 -91.13 111.87 23.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.029 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.487 HD11 HE21 ' A' ' 50' ' ' GLN . 1.2 tt -115.64 148.26 39.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.231 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.468 ' N ' ' HG ' ' A' ' 78' ' ' LEU . 22.6 m -121.7 127.91 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.668 HD21 HG21 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -92.87 138.17 31.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.795 -179.584 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.672 ' HE ' ' HE ' ' A' ' 51' ' ' ARG . 10.9 mtt-85 -87.76 -157.33 0.4 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.389 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.516 HD23 ' H ' ' A' ' 84' ' ' GLY . 0.6 OUTLIER -126.67 105.16 8.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.364 -179.795 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.2 19.61 20.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.679 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.516 ' H ' HD23 ' A' ' 82' ' ' LEU . . . 94.65 -21.43 43.22 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.06 -53.91 39.02 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 77.3 p -158.0 150.21 22.14 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.405 ' HG3' ' H ' ' A' ' 89' ' ' GLY . 0.0 OUTLIER -78.04 -28.69 49.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.007 -179.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.57 -2.11 32.83 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.405 ' H ' ' HG3' ' A' ' 87' ' ' MET . . . 75.02 -89.91 0.78 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.418 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -49.78 -70.66 0.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.755 0.312 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.81 151.93 37.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.773 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -154.55 37.36 0.42 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.197 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.405 ' HB2' ' H ' ' A' ' 82' ' ' LEU . 7.7 tt0 56.86 57.73 4.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.536 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.641 ' O ' HD23 ' A' ' 96' ' ' LEU . 1.1 mm-40 166.05 -87.46 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.256 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 97' ' ' ILE . 8.9 pt-20 -48.06 -31.33 5.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.991 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 94' ' ' GLU . 0.8 OUTLIER -39.99 -24.4 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.265 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.472 ' N ' HD23 ' A' ' 96' ' ' LEU . 2.5 mt -87.62 -63.64 1.26 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.762 0.315 . . . . 0.0 110.818 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.537 ' HA ' HD12 ' A' ' 101' ' ' ILE . 10.3 ptm180 -63.19 -32.55 73.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.453 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 6.5 ptmm? -75.43 -28.41 59.34 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.493 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -74.06 -25.24 59.72 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 98' ' ' ARG . 18.4 mt -79.41 -31.74 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 3.1 tt0 -90.98 -10.09 43.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.44 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.8 OUTLIER -94.32 -73.31 0.58 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.321 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.8 p -98.99 -9.38 24.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.686 HD21 ' H ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -92.66 -47.46 7.08 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.973 -178.21 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -62.51 -23.99 67.25 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.762 -179.447 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -60.39 -34.8 74.44 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.052 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.7 t -74.68 -40.89 61.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.368 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.434 ' C ' HH11 ' A' ' 109' ' ' ARG . 0.0 OUTLIER -68.68 -38.45 80.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -55.56 -50.3 70.41 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.279 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.8 p -78.45 -14.78 59.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.227 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -66.42 -27.71 73.26 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.63 -51.76 31.79 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.108 179.49 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.7 mtp . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -70.02 164.41 24.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.644 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.72 154.58 42.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.584 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -167.46 72.66 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.229 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 59.21 177.71 0.08 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.808 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -168.08 138.45 2.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -88.42 46.43 1.38 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.388 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.42 -114.29 3.85 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' CG ' ' H ' ' A' ' 10' ' ' PHE . 1.3 pt-20 -173.38 -101.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.417 ' HB2' ' CB ' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -158.38 165.98 33.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.274 0.559 . . . . 0.0 110.95 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.551 ' HB3' HG22 ' A' ' 23' ' ' THR . 20.4 mt-30 -61.65 114.02 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.663 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.46 HG12 HG22 ' A' ' 26' ' ' VAL . 28.6 pt -73.8 179.0 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.692 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -119.2 128.66 54.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.732 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.29 132.01 56.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.721 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 5.9 ttpt -122.58 118.1 27.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.91 0.386 . . . . 0.0 111.023 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 78' ' ' LEU . 41.0 p -68.29 169.0 11.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.496 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 100' ' ' ALA . 27.3 tp -66.14 -22.62 66.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.471 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -79.69 -20.44 46.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.701 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.15 42.75 2.34 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 19.3 tptm -102.94 124.97 49.44 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.2 121.3 27.75 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.4 mt -132.45 130.92 60.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.772 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.551 HG22 ' HB3' ' A' ' 11' ' ' GLN . 25.2 m -106.72 128.46 54.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.316 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -132.38 140.12 48.37 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.656 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -83.15 104.35 13.27 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.46 HG22 HG12 ' A' ' 12' ' ' ILE . 20.6 m -131.62 149.66 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.229 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.685 ' O ' HD12 ' A' ' 65' ' ' LEU . 4.4 mt-10 -71.56 163.34 27.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.083 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.5 p -68.33 -21.74 64.73 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.767 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.612 ' HA ' ' H ' ' A' ' 66' ' ' SER . 26.8 t -114.73 4.15 14.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.421 -178.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.53 160.04 0.19 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.0 p -97.73 157.38 16.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 mm -53.18 -48.08 54.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.158 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -50.96 -45.4 60.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.281 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -64.03 -42.99 96.89 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.748 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -58.83 -46.53 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.604 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 39' ' ' ILE . 5.2 mtmp? -63.54 -60.36 3.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.358 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.1 p -46.9 -49.74 19.92 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.88 0.372 . . . . 0.0 110.155 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.28 -37.52 36.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.86 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -66.15 -40.27 86.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.551 179.635 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.419 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.0 OUTLIER -61.63 -27.75 68.89 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.758 0.313 . . . . 0.0 110.874 -179.719 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.7 -25.83 49.69 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.8 -45.21 10.51 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 114.515 -1.22 . . . . 0.0 111.822 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -123.02 10.56 9.45 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 76.48 -43.36 1.82 Allowed Glycine 0 CA--C 1.526 0.777 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.71 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.726 HG21 HD22 ' A' ' 80' ' ' LEU . 8.5 mm -35.03 118.48 0.58 Allowed Pre-proline 0 N--CA 1.466 0.347 0 CA-C-O 120.518 0.199 . . . . 0.0 111.3 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -69.4 138.82 39.93 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 C-N-CA 122.421 2.081 . . . . 0.0 112.089 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -49.76 -36.17 41.25 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.971 2.448 . . . . 0.0 112.128 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.66 -37.83 82.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.372 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -73.53 -10.41 59.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.332 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.432 HE22 ' HB ' ' A' ' 45' ' ' ILE . 1.3 pt20 -128.63 176.09 8.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.242 0.544 . . . . 0.0 111.717 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.519 HH12 HH21 ' A' ' 81' ' ' ARG . 0.0 OUTLIER -155.04 173.38 16.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.61 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' A' ' 59' ' ' LEU . 3.3 mm? -118.7 115.43 24.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.674 0.273 . . . . 0.0 111.099 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.525 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.8 mp -109.98 116.01 51.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.638 ' HB3' HD11 ' A' ' 59' ' ' LEU . 47.8 t-105 -134.54 135.77 42.57 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.902 0.382 . . . . 0.0 111.235 -179.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.483 ' N ' HD12 ' A' ' 105' ' ' LEU . . . 59.37 53.35 5.29 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.333 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.452 ' H ' HD12 ' A' ' 105' ' ' LEU . . . 54.9 7.82 1.17 Allowed Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.425 -0.352 . . . . 0.0 112.43 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -124.61 132.2 53.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -72.14 129.34 38.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.935 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' A' ' 52' ' ' LEU . 46.6 mt -86.44 149.44 25.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.73 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.7 148.88 25.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.769 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -51.7 -18.42 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.571 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.27 -7.31 67.71 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.057 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 154.67 41.65 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 117.009 0.405 . . . . 0.0 110.428 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.0 p -116.18 165.57 13.0 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 27' ' ' GLU . 6.9 mt -81.36 -39.51 24.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.383 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.612 ' H ' ' HA ' ' A' ' 29' ' ' SER . 66.4 p -73.19 -10.52 59.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.267 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -55.15 -62.01 1.95 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.77 3.52 47.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.412 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 71.54 29.29 2.67 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.254 0.55 . . . . 0.0 109.957 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.7 mt -55.17 108.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.244 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -156.24 0.07 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.015 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.446 ' HG2' ' H ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -88.66 -44.83 10.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.682 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' H ' ' HG2' ' A' ' 72' ' ' ARG . 28.8 mm-40 -79.08 49.3 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.034 0.445 . . . . 0.0 110.017 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.8 p -106.11 134.2 49.61 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.877 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.7 m -90.07 94.97 10.0 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.743 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.59 139.61 30.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.524 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.44 115.48 30.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.573 HD12 HD21 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -103.38 133.56 48.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.553 -179.375 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.447 HG13 HD12 ' A' ' 96' ' ' LEU . 2.5 t -99.74 132.69 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.133 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.726 HD22 HG21 ' A' ' 45' ' ' ILE . 92.5 mt -117.55 129.96 56.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.519 HH21 HH12 ' A' ' 51' ' ' ARG . 3.9 ttm180 -73.55 125.47 28.04 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.312 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.549 ' N ' ' HG2' ' A' ' 93' ' ' GLU . 0.7 OUTLIER -73.13 71.61 1.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.135 0.493 . . . . 0.0 110.704 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -79.26 -12.99 59.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.508 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.93 164.78 54.89 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.0 -19.26 77.73 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 p -76.66 83.2 3.3 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.867 0.365 . . . . 0.0 110.537 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 32.0 mtt -69.31 -11.2 60.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.63 88.97 0.22 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 174.42 169.56 36.62 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.7 -51.74 65.99 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.764 0.316 . . . . 0.0 110.685 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.24 135.8 42.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.299 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -148.25 37.4 0.85 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.698 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.549 ' HG2' ' N ' ' A' ' 82' ' ' LEU . 3.8 mt-10 54.41 57.58 5.69 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.411 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.824 ' H ' HD22 ' A' ' 96' ' ' LEU . 3.7 tm-20 168.84 -85.35 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 97' ' ' ILE . 6.8 pt-20 -53.16 -35.82 60.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.198 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.824 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.3 pt? -33.84 -28.08 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.648 ' H ' HD23 ' A' ' 96' ' ' LEU . 3.1 mt -95.42 -48.9 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.424 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.549 ' CG ' ' N ' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -53.66 -49.9 66.94 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 -179.369 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.549 ' N ' ' CG ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -65.78 -70.54 0.23 Allowed 'General case' 0 C--O 1.225 -0.208 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.782 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -33.87 -38.65 0.06 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.472 ' HA ' ' HB2' ' A' ' 105' ' ' LEU . 22.3 mt -66.27 -47.74 83.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 120.927 0.394 . . . . 0.0 110.391 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -87.45 -10.41 51.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.072 -179.274 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 99' ' ' LYS . 17.6 mt -90.21 -73.32 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -177.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.2 t -100.57 -10.4 21.04 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -90.96 -40.25 11.79 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.719 -178.078 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -21.61 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.846 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -20.48 60.42 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.607 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.9 t -59.23 -34.49 72.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.275 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -66.47 -37.43 85.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.287 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -65.63 -29.93 70.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.419 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.8 t -68.52 -23.08 64.5 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.502 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -79.09 7.02 54.76 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.8 -20.53 62.11 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.618 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tmm? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -159.27 -26.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.497 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.486 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 0.3 OUTLIER -79.58 62.82 3.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.62 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -76.99 48.89 0.62 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.497 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -78.22 102.47 7.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.53 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.0 -29.05 0.23 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.98 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -94.74 135.7 35.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.66 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.71 156.56 9.7 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.43 -96.94 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -120.36 122.57 41.07 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.136 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' A' ' 25' ' ' GLU . 28.4 mt-30 -117.7 113.74 22.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.279 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.407 HG12 HG22 ' A' ' 26' ' ' VAL . 40.1 pt -74.38 176.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.078 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.0 134.87 53.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.866 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.34 135.45 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.343 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 3.7 ttpt -132.14 122.36 25.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.046 0.45 . . . . 0.0 110.98 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.4 p -78.77 175.4 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.765 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -57.19 -48.36 78.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.601 179.179 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.452 ' H ' HG23 ' A' ' 18' ' ' THR . 6.8 p -62.12 -17.91 59.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.711 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.27 43.63 3.43 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 10.7 tptp -90.58 111.21 22.43 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -81.45 118.55 22.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.635 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -131.34 128.06 60.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.387 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.2 m -105.62 128.07 53.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.631 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.44 137.34 47.23 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.433 ' HB2' HE21 ' A' ' 11' ' ' GLN . 6.4 tt0 -82.36 103.9 12.26 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.778 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG22 HG12 ' A' ' 12' ' ' ILE . 22.2 m -130.52 172.71 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.447 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.731 ' O ' HD12 ' A' ' 65' ' ' LEU . 23.3 mt-10 -87.0 153.68 21.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.933 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -64.31 -17.0 63.25 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.539 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.591 ' HA ' ' H ' ' A' ' 66' ' ' SER . 3.8 m -118.66 3.92 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.075 -178.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.89 162.87 0.07 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 110.621 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.3 p -96.77 158.96 15.18 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.462 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.0 mm -55.91 -46.67 80.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.424 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -48.06 -43.73 30.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.697 0.284 . . . . 0.0 110.661 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -37.86 88.5 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.77 -44.11 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.54 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -63.09 -64.28 0.96 Allowed 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.287 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.3 p -45.34 -53.27 8.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.888 0.375 . . . . 0.0 110.556 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.39 -35.54 19.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.338 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.457 HG21 ' NE2' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -64.57 -44.53 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -62.06 -27.22 68.75 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-O 120.647 0.26 . . . . 0.0 111.286 -179.467 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 40' ' ' GLN . 14.0 t70 -73.29 -31.42 64.04 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -91.91 -35.9 13.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.221 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -117.22 3.67 12.63 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.41 ' CA ' ' O ' ' A' ' 40' ' ' GLN . . . 74.29 -45.78 1.51 Allowed Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.437 ' H ' HG12 ' A' ' 45' ' ' ILE . 5.0 mm -41.04 117.07 1.48 Allowed Pre-proline 0 CA--C 1.531 0.248 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.08 143.75 17.62 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.603 2.202 . . . . 0.0 112.237 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -54.2 -40.93 80.0 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.671 2.247 . . . . 0.0 112.026 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.27 -36.03 82.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.176 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -17.98 64.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.272 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.457 ' NE2' HG21 ' A' ' 39' ' ' ILE . 1.5 mt-30 -109.39 152.43 25.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.1 0.476 . . . . 0.0 111.396 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.33 159.21 42.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.149 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 53' ' ' ILE . 5.2 mp -118.81 121.17 39.42 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.299 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.596 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.7 mp -117.63 124.85 73.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.449 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.525 ' HB3' HD11 ' A' ' 59' ' ' LEU . 66.8 t90 -150.24 143.14 24.78 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.1 0.476 . . . . 0.0 111.465 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 64.12 53.4 1.82 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.99 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.595 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 57.09 5.8 1.62 Allowed Glycine 0 CA--C 1.528 0.845 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.618 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -136.45 156.84 48.05 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.125 0.463 . . . . 0.0 111.048 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.446 ' OE1' HD11 ' A' ' 53' ' ' ILE . 22.9 tt0 -84.04 127.57 33.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.297 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 54' ' ' TRP . 31.5 mt -72.32 129.67 38.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.506 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -81.08 133.02 35.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.652 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -51.75 -27.53 12.34 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.585 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.3 -3.45 85.7 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -78.78 157.63 28.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.811 0.338 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.4 p -114.65 170.13 8.55 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 27' ' ' GLU . 8.5 mt -74.84 -41.03 60.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.789 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.591 ' H ' ' HA ' ' A' ' 29' ' ' SER . 17.4 p -69.14 -10.13 56.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.659 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.77 -28.54 49.54 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.132 0.491 . . . . 0.0 109.959 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -126.24 -2.48 6.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.572 179.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 75.82 33.98 0.59 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.277 0.561 . . . . 0.0 109.76 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.9 mt -62.53 122.41 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.631 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -105.01 169.57 8.36 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -49.62 -42.77 45.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -78.79 46.83 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.231 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -124.07 149.6 45.96 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 m -105.02 104.34 14.06 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.512 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mp -82.67 132.88 35.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.766 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -94.33 106.04 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.456 HD21 ' NE2' ' A' ' 50' ' ' GLN . 7.6 tt -107.48 143.79 35.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.467 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.488 HG11 HD13 ' A' ' 96' ' ' LEU . 46.3 t -111.57 131.29 63.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.9 130.91 50.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -71.82 174.13 7.31 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.877 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.42 HD11 ' H ' ' A' ' 87' ' ' MET . 5.8 tp -99.87 109.47 21.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.183 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -57.9 -27.73 63.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.57 42.51 0.95 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.43 19.64 7.56 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.6 t 56.25 85.38 0.07 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.918 0.39 . . . . 0.0 110.727 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.42 ' H ' HD11 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -58.36 -51.09 71.27 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.414 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.02 -36.2 0.66 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.9 -20.76 0.88 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.44 -71.86 0.19 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.682 0.277 . . . . 0.0 110.375 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.47 130.99 47.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.215 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -149.78 39.89 0.8 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.637 ' HA ' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER 48.73 74.34 0.18 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.761 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.525 ' H ' ' CD1' ' A' ' 96' ' ' LEU . 15.8 tt0 149.76 -76.29 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.301 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -64.94 -9.99 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.217 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.637 HD21 ' HA ' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -74.02 -10.76 59.97 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.952 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.599 ' N ' HD12 ' A' ' 96' ' ' LEU . 2.5 mt -92.19 -52.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.3 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -64.82 -33.65 76.49 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 0.2 OUTLIER -74.56 -29.3 61.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.646 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.06 -33.39 50.92 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.595 HG23 ' HA2' ' A' ' 56' ' ' GLY . 7.5 mt -64.96 -37.78 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.601 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 106' ' ' LYS . 2.8 tp10 -92.64 -10.2 38.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.142 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 99' ' ' LYS . 0.5 OUTLIER -88.38 -74.4 0.46 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 120.455 -0.498 . . . . 0.0 112.117 -178.624 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.5 m -100.34 -11.35 20.37 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.543 ' HB2' ' HA ' ' A' ' 101' ' ' ILE . 5.3 mp -91.0 -40.74 11.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.704 -178.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -34.89 -29.48 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -178.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 105' ' ' LEU . 37.0 tt0 -50.3 -35.13 26.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.755 0.312 . . . . 0.0 110.612 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.7 t -69.84 -31.23 68.97 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.7 ttt-85 -61.89 -17.75 57.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.624 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -52.91 -42.54 65.47 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.538 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.3 p -80.52 -38.67 29.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.503 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.93 22.14 19.76 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.94 -66.81 2.25 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.002 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -68.97 123.42 20.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -66.44 -55.91 13.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.552 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 m80 60.03 -177.65 0.1 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -159.04 170.47 21.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.689 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -114.37 179.71 3.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.303 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -97.59 83.69 3.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.37 -171.02 51.86 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.471 -0.651 . . . . 0.0 111.471 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -147.37 -124.16 0.06 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -124.35 122.97 39.17 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.786 0.327 . . . . 0.0 110.202 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 25' ' ' GLU . 12.4 pt20 -123.03 120.58 33.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.437 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.543 ' CD1' HD22 ' A' ' 76' ' ' LEU . 31.8 pt -83.5 -171.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.679 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -124.22 133.55 53.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.303 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.47 140.89 52.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.102 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 1.2 ttpp -128.05 117.92 22.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.501 HG22 HD22 ' A' ' 78' ' ' LEU . 71.1 p -66.18 170.27 6.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.614 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.868 HD11 ' HZ1' ' A' ' 99' ' ' LYS . 3.1 tm? -57.7 -46.3 84.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.919 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -61.92 -21.06 64.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.65 42.45 2.49 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 15' ' ' LYS . 10.0 ttmt -98.97 125.06 44.34 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.28 125.13 32.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.468 HD13 HD11 ' A' ' 39' ' ' ILE . 1.6 mt -133.19 129.51 57.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.278 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.684 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.7 m -107.4 125.78 51.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.538 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.883 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -132.71 141.96 48.82 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -78.46 106.43 10.4 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.565 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.66 148.34 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.5 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.706 ' O ' HD12 ' A' ' 65' ' ' LEU . 5.0 mm-40 -70.11 158.76 35.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.873 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 20.9 t -66.61 -17.48 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.257 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.605 ' HA ' ' H ' ' A' ' 66' ' ' SER . 59.6 p -117.71 4.17 12.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.209 -178.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -47.41 159.64 0.13 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.765 0.317 . . . . 0.0 110.518 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.8 p -94.65 158.49 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.242 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.0 mm -55.02 -46.56 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.425 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -44.96 -46.21 10.94 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.659 0.266 . . . . 0.0 110.554 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -63.44 -36.81 84.97 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.858 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.88 -44.72 96.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.693 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.452 ' HA ' ' NE2' ' A' ' 50' ' ' GLN . 20.6 mtmm -65.68 -64.11 0.94 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.448 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -49.64 -53.1 26.15 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.776 0.322 . . . . 0.0 110.368 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -35.16 22.0 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.468 HD11 HD13 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -64.22 -43.35 97.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.183 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 44' ' ' GLY . 1.9 pt20 -59.33 -26.65 65.21 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-O 120.861 0.363 . . . . 0.0 110.501 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.59 -29.42 63.5 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -89.73 -38.94 13.48 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.294 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 45' ' ' ILE . 21.3 mt-10 -122.93 8.6 9.33 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 40' ' ' GLN . . . 72.19 -38.07 0.67 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.575 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.518 ' CD1' HD21 ' A' ' 80' ' ' LEU . 18.2 mt -42.72 114.59 1.52 Allowed Pre-proline 0 CA--C 1.532 0.267 0 CA-C-O 120.578 0.228 . . . . 0.0 111.578 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 45' ' ' ILE . 2.4 Cg_endo -50.12 143.57 24.88 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.898 2.399 . . . . 0.0 112.123 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -52.36 -29.54 39.38 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.596 2.197 . . . . 0.0 112.061 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.1 -45.42 34.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.374 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -23.63 54.82 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.141 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.632 ' NE2' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -109.17 157.33 18.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.853 0.358 . . . . 0.0 110.641 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.455 ' NH2' HH12 ' A' ' 81' ' ' ARG . 0.1 OUTLIER -131.86 165.16 24.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.812 179.729 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.677 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -124.55 112.23 16.6 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.72 0.295 . . . . 0.0 110.478 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.587 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.8 mp -112.49 126.01 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.466 ' HB3' HD21 ' A' ' 59' ' ' LEU . 26.5 t-105 -136.2 131.12 34.18 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.917 0.389 . . . . 0.0 111.219 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.62 61.69 1.66 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.174 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.544 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 51.4 9.91 0.48 Allowed Glycine 0 CA--C 1.528 0.889 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.949 178.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.66 142.07 46.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 117.137 0.468 . . . . 0.0 110.944 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 129.57 38.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.977 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.677 HD12 ' HB3' ' A' ' 52' ' ' LEU . 63.8 mt -66.61 -142.76 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.813 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 178.23 144.95 0.12 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.929 0.395 . . . . 0.0 111.046 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -49.03 -42.28 37.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.179 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.11 -7.19 66.37 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.26 152.42 24.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.5 p -114.57 169.08 9.32 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.636 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 27' ' ' GLU . 7.2 mt -72.42 -41.54 66.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.695 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.605 ' H ' ' HA ' ' A' ' 29' ' ' SER . 29.6 t -66.66 -9.77 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.693 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.48 -23.39 62.71 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.055 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -125.68 -6.49 6.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.207 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 m120 74.94 43.51 0.22 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.354 0.597 . . . . 0.0 109.444 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.1 mm -66.42 117.6 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.668 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -95.39 167.42 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.404 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.422 ' HG2' ' H ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -53.68 -44.53 69.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.143 179.838 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.8 50.25 1.78 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.828 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 t -117.86 147.76 42.77 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.772 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 m -105.53 101.27 10.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.205 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 12' ' ' ILE . 1.7 mp -85.07 120.79 26.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.055 -179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -78.52 106.99 10.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.632 HD11 ' NE2' ' A' ' 50' ' ' GLN . 9.0 tt -98.97 132.98 43.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.706 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.447 ' HB ' HD13 ' A' ' 53' ' ' ILE . 2.2 t -96.17 125.84 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.87 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.518 HD21 ' CD1' ' A' ' 45' ' ' ILE . 1.8 tp -112.18 116.66 30.82 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.455 HH12 ' NH2' ' A' ' 51' ' ' ARG . 1.2 ptm180 -75.93 161.35 29.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.369 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.96 124.66 28.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.01 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.06 -7.7 22.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.324 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.93 77.39 1.1 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.3 108.97 0.23 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.8 t 56.0 80.04 0.15 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.5 ttp -70.78 -45.77 64.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.558 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.25 -82.77 0.88 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.94 -21.16 0.13 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.92 -72.03 0.15 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.67 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -99.72 150.37 22.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.252 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -150.88 40.57 0.73 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.804 0.335 . . . . 0.0 110.802 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 94' ' ' GLU . 0.5 OUTLIER 50.96 70.15 0.56 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.926 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.867 ' H ' HD22 ' A' ' 96' ' ' LEU . 2.5 tm-20 165.31 -83.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 96' ' ' LEU . 1.3 pm0 -56.53 -34.18 66.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.282 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.867 HD22 ' H ' ' A' ' 94' ' ' GLU . 1.3 pt? -34.64 -31.42 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -178.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.689 ' H ' HD23 ' A' ' 96' ' ' LEU . 1.4 mt -74.01 -59.86 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 120.457 -0.497 . . . . 0.0 109.837 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.454 ' N ' HG22 ' A' ' 97' ' ' ILE . 9.7 ptp180 -65.48 -28.82 69.48 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.868 ' HZ1' HD11 ' A' ' 17' ' ' LEU . 14.5 ttpp -70.63 -38.25 73.88 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.011 179.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.4 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -73.01 -18.15 61.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.634 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.544 HG23 ' HA2' ' A' ' 56' ' ' GLY . 29.8 mt -89.54 -33.46 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.064 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -91.22 -11.79 37.21 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.81 HD12 ' N ' ' A' ' 104' ' ' SER . 3.2 pp -95.6 -67.72 0.84 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 119.404 -0.918 . . . . 0.0 112.75 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.81 ' N ' HD12 ' A' ' 103' ' ' LEU . 5.4 m -98.79 -15.65 19.2 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.501 HD12 ' H ' ' A' ' 56' ' ' GLY . 0.5 OUTLIER -93.57 -35.02 13.11 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.583 -178.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -33.89 -35.36 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.077 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 105' ' ' LEU . 12.5 tp10 -45.45 -44.54 12.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.731 0.3 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.1 p -60.52 -45.74 92.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.622 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -60.29 -45.71 92.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.311 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -63.64 -38.81 92.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.319 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 55.3 m -67.03 -25.5 66.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.365 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -77.31 -8.0 86.97 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.84 88.72 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.274 179.915 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 66.56 -74.42 0.06 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.726 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -74.8 117.94 17.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.44 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -68.64 -39.05 80.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.691 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -66.66 116.42 7.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.293 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -84.67 145.22 28.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.467 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -74.97 165.48 25.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.6 -34.07 0.02 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.67 -157.86 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.66 0.267 . . . . 0.0 110.369 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.97 122.6 40.5 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -116.71 113.43 22.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.293 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.578 HG22 ' O ' ' A' ' 71' ' ' GLN . 33.8 pt -68.14 165.62 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.481 -179.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.75 ' CE2' HG23 ' A' ' 75' ' ' THR . 1.0 OUTLIER -106.35 118.49 36.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.797 178.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.462 ' CB ' HD21 ' A' ' 24' ' ' LEU . . . -109.71 120.17 41.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.658 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.561 ' HG3' ' N ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -105.15 155.1 19.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.994 179.324 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.561 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 73.1 p -112.61 167.24 10.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.141 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.74 HD21 HD21 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -55.24 -48.97 73.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.972 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.3 p -61.12 -19.93 62.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.03 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.39 35.78 4.85 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.821 -0.512 . . . . 0.0 111.821 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.74 140.32 29.7 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.724 HG23 ' CE1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -97.05 121.63 39.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 110.984 -179.569 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.1 mt -133.56 133.85 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.591 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.495 ' C ' HD23 ' A' ' 24' ' ' LEU . 84.6 m -112.9 133.56 54.82 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.828 0.347 . . . . 0.0 111.158 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.495 HD23 ' C ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -133.33 138.4 46.34 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.589 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.37 105.2 14.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.779 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.444 HG22 HG12 ' A' ' 12' ' ' ILE . 10.4 m -137.33 165.16 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 121.159 0.504 . . . . 0.0 111.736 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.579 ' O ' HD12 ' A' ' 65' ' ' LEU . 20.5 mt-10 -78.53 158.83 28.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.835 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.6 p -68.6 -17.16 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.099 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.629 ' HA ' ' H ' ' A' ' 66' ' ' SER . 1.1 m -116.81 3.66 12.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.434 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.33 163.32 0.17 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.635 0.255 . . . . 0.0 110.541 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.5 p -97.16 160.57 14.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.152 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 mm -52.24 -43.19 38.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -48.08 -45.32 32.39 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.373 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -64.04 -38.98 93.04 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.735 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.04 -48.24 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.708 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -61.25 -59.36 5.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.072 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.5 p -47.29 -47.18 25.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.216 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -52.02 -38.18 55.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.057 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.424 HG21 ' CD ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -64.38 -44.13 97.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.536 179.56 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.419 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 1.3 pt20 -60.93 -29.85 69.86 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.592 0.234 . . . . 0.0 111.388 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.78 -25.96 59.42 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -92.22 -40.24 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.93 -178.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -122.37 7.5 9.61 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 40' ' ' GLN . . . 73.87 -40.43 0.99 Allowed Glycine 0 CA--C 1.531 1.034 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.09 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.8 mt -37.78 124.34 0.98 Allowed Pre-proline 0 N--CA 1.467 0.377 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -54.82 132.45 51.99 Favored 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.685 2.257 . . . . 0.0 111.494 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -48.92 -43.95 33.75 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 122.846 2.364 . . . . 0.0 112.617 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -63.62 -28.4 69.89 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.999 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -69.7 -12.29 61.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.078 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.424 ' CD ' HG21 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -111.15 157.5 19.97 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.165 0.507 . . . . 0.0 111.581 -179.307 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.1 161.81 33.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.27 -0.877 . . . . 0.0 108.744 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.592 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -121.94 111.2 16.78 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.768 -179.67 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.592 HD12 ' C ' ' A' ' 52' ' ' LEU . 1.8 mp -112.55 121.51 65.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.609 ' HB3' HD11 ' A' ' 59' ' ' LEU . 18.6 t90 -136.55 136.2 39.11 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.942 0.401 . . . . 0.0 110.777 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.419 ' N ' HD12 ' A' ' 105' ' ' LEU . . . 55.59 55.92 6.75 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.304 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.664 ' HA2' HG23 ' A' ' 101' ' ' ILE . . . 55.38 5.54 0.78 Allowed Glycine 0 CA--C 1.527 0.824 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.505 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -121.42 135.56 55.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 117.069 0.435 . . . . 0.0 110.911 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -77.99 127.0 31.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.058 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.609 HD11 ' HB3' ' A' ' 54' ' ' TRP . 38.7 mt -83.38 146.57 28.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.712 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -101.03 148.1 25.43 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.458 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.15 -30.62 11.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.63 -5.76 69.5 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.22 155.68 28.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.8 0.333 . . . . 0.0 110.728 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 p -114.06 176.44 5.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.713 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 27' ' ' GLU . 9.8 mt -85.01 -39.53 17.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.689 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.629 ' H ' ' HA ' ' A' ' 29' ' ' SER . 46.0 t -69.53 -9.82 55.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.001 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.99 -61.91 1.87 Allowed 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -93.09 2.13 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.394 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 78.23 52.09 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.168 0.509 . . . . 0.0 110.273 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.655 HG23 ' CB ' ' A' ' 74' ' ' SER . 27.4 mt -82.65 122.6 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.501 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.578 ' O ' HG22 ' A' ' 12' ' ' ILE . 14.9 mp0 -102.98 -125.98 0.21 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.442 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -102.06 -41.41 6.44 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.818 0.342 . . . . 0.0 110.731 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -82.43 36.54 0.48 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.983 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.655 ' CB ' HG23 ' A' ' 70' ' ' ILE . 78.6 p -95.52 125.96 40.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.364 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.75 HG23 ' CE2' ' A' ' 13' ' ' PHE . 24.8 m -88.29 93.81 9.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.988 0.423 . . . . 0.0 110.265 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.531 HD22 HD12 ' A' ' 12' ' ' ILE . 2.6 mp -84.79 155.8 21.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.683 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.553 ' O ' HD13 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -121.28 111.02 16.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.613 179.247 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.554 HD12 ' CD2' ' A' ' 52' ' ' LEU . 1.1 tp -99.91 130.24 46.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.289 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.764 HG11 HD13 ' A' ' 96' ' ' LEU . 42.8 t -104.64 126.86 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.292 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.9 mt -99.23 114.3 27.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.66 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.437 ' HA ' HD21 ' A' ' 96' ' ' LEU . 18.3 ptt85 -77.19 154.87 32.68 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.643 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -95.89 135.14 38.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.568 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.74 -28.02 16.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.686 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.33 -157.22 27.92 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.18 -119.87 19.64 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.9 t -75.6 147.94 39.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.7 0.286 . . . . 0.0 110.451 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -7.8 59.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.648 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.77 -72.79 2.18 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.98 -113.84 0.48 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.67 -44.89 95.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.791 0.329 . . . . 0.0 110.255 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.44 ' N ' ' HZ2' ' A' ' 99' ' ' LYS . . . -72.99 138.32 45.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.286 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.456 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 10.6 m-20 -147.96 43.52 1.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.597 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.697 ' O ' HD11 ' A' ' 96' ' ' LEU . 6.3 tt0 73.11 -57.68 0.63 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.802 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -91.45 -58.01 2.58 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.393 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 97' ' ' ILE . 2.8 mm-40 -50.57 -50.22 54.2 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.521 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.918 HD12 ' N ' ' A' ' 97' ' ' ILE . 0.8 OUTLIER -35.12 -22.66 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.042 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.918 ' N ' HD12 ' A' ' 96' ' ' LEU . 1.9 mt -84.75 -53.86 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.015 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 7.6 ptm180 -60.89 -41.7 96.55 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.619 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.597 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -76.4 -26.59 55.74 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.063 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 96' ' ' LEU . . . -70.41 -25.24 63.13 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.664 HG23 ' HA2' ' A' ' 56' ' ' GLY . 31.0 mt -83.59 -30.82 8.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.996 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.71 -12.42 31.45 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.877 HD12 ' N ' ' A' ' 104' ' ' SER . 2.9 pp -96.28 -69.93 0.74 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 119.161 -1.015 . . . . 0.0 113.249 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.877 ' N ' HD12 ' A' ' 103' ' ' LEU . 32.0 t -99.99 -10.61 21.42 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.637 HD12 ' H ' ' A' ' 56' ' ' GLY . 3.6 mm? -93.35 -41.88 9.6 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -177.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.444 ' C ' ' CD ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -53.96 -24.86 18.01 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.993 -179.368 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -61.31 -23.92 66.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.5 p -48.55 -42.63 34.03 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -74.46 -37.62 63.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.581 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -80.0 3.96 18.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.998 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 66.3 m -73.63 -25.58 60.37 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.66 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.59 -18.88 57.26 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.04 -6.91 55.33 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.774 -1.108 . . . . 0.0 110.798 -179.938 . . . . . . . . 0 0 . 1 stop_ save_